3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C106H100Cl2F4N26O11 — CID 158575022

IUPAC3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)(O)C(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.Cn1nc(-c2ccncc2)cc1C(=O)NC(CO)c1cccc(F)c1.Cn1nc(C(=O)NC(CO)c2cccc(F)c2)cc1-c1ccncc1.Nc1nccc(-c2cc(C(=O)N[C@H](CO)c3cccc(F)c3)[nH]n2)n1.O=C(NC(CO)Cc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C19H19FN4O2.C18H17ClN4O2.2C18H17FN4O2.C17H15ClN4O.C16H15FN6O2/c1-19(2,26)17(13-4-3-5-14(20)10-13)22-18(25)16-11-15(23-24-16)12-6-8-21-9-7-12;19-14-3-1-2-12(8-14)9-15(11-24)21-18(25)17-10-16(22-23-17)13-4-6-20-7-5-13;1-23-17(12-5-7-20-8-6-12)10-15(22-23)18(25)21-16(11-24)13-3-2-4-14(19)9-13;1-23-17(10-15(22-23)12-5-7-20-8-6-12)18(25)21-16(11-24)13-3-2-4-14(19)9-13;18-14-3-1-2-12(10-14)4-9-20-17(23)16-11-15(21-22-16)13-5-7-19-8-6-13;17-10-3-1-2-9(6-10)14(8-24)20-15(25)13-7-12(22-23-13)11-4-5-19-16(18)21-11/h3-11,17,26H,1-2H3,(H,22,25)(H,23,24);1-8,10,15,24H,9,11H2,(H,21,25)(H,22,23);2*2-10,16,24H,11H2,1H3,(H,21,25);1-3,5-8,10-11H,4,9H2,(H,20,23)(H,21,22);1-7,14,24H,8H2,(H,20,25)(H,22,23)(H2,18,19,21)/t;;;;;14-/m.....1/s1
InChIKeyHSOAJJAWPBGPMD-IWIOUCEBSA-N
MW2061.03 g/mol
LogP13.63
Rot. Bonds31

About 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 158575022) has the molecular formula C106H100Cl2F4N26O11 and a molecular weight of 2061.03 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID158575022
Molecular FormulaC106H100Cl2F4N26O11
Molecular Weight2061.03 g/mol
Exact Mass2058.74
IUPAC Name3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)(O)C(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.Cn1nc(-c2ccncc2)cc1C(=O)NC(CO)c1cccc(F)c1.Cn1nc(C(=O)NC(CO)c2cccc(F)c2)cc1-c1ccncc1.Nc1nccc(-c2cc(C(=O)N[C@H](CO)c3cccc(F)c3)[nH]n2)n1.O=C(NC(CO)Cc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C19H19FN4O2.C18H17ClN4O2.2C18H17FN4O2.C17H15ClN4O.C16H15FN6O2/c1-19(2,26)17(13-4-3-5-14(20)10-13)22-18(25)16-11-15(23-24-16)12-6-8-21-9-7-12;19-14-3-1-2-12(8-14)9-15(11-24)21-18(25)17-10-16(22-23-17)13-4-6-20-7-5-13;1-23-17(12-5-7-20-8-6-12)10-15(22-23)18(25)21-16(11-24)13-3-2-4-14(19)9-13;1-23-17(10-15(22-23)12-5-7-20-8-6-12)18(25)21-16(11-24)13-3-2-4-14(19)9-13;18-14-3-1-2-12(10-14)4-9-20-17(23)16-11-15(21-22-16)13-5-7-19-8-6-13;17-10-3-1-2-9(6-10)14(8-24)20-15(25)13-7-12(22-23-13)11-4-5-19-16(18)21-11/h3-11,17,26H,1-2H3,(H,22,25)(H,23,24);1-8,10,15,24H,9,11H2,(H,21,25)(H,22,23);2*2-10,16,24H,11H2,1H3,(H,21,25);1-3,5-8,10-11H,4,9H2,(H,20,23)(H,21,22);1-7,14,24H,8H2,(H,20,25)(H,22,23)(H2,18,19,21)/t;;;;;14-/m.....1/s1
InChIKeyHSOAJJAWPBGPMD-IWIOUCEBSA-N
XLogP13.63
TPSA542.36 Ų
H-Bond Donors16
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002061.03
LogP ≤ 513.63
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1027

Analyze 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 158575022) is 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is CC(C)(O)C(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.Cn1nc(-c2ccncc2)cc1C(=O)NC(CO)c1cccc(F)c1.Cn1nc(C(=O)NC(CO)c2cccc(F)c2)cc1-c1ccncc1.Nc1nccc(-c2cc(C(=O)N[C@H](CO)c3cccc(F)c3)[nH]n2)n1.O=C(NC(CO)Cc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is HSOAJJAWPBGPMD-IWIOUCEBSA-N. The full InChI is InChI=1S/C19H19FN4O2.C18H17ClN4O2.2C18H17FN4O2.C17H15ClN4O.C16H15FN6O2/c1-19(2,26)17(13-4-3-5-14(20)10-13)22-18(25)16-11-15(23-24-16)12-6-8-21-9-7-12;19-14-3-1-2-12(8-14)9-15(11-24)21-18(25)17-10-16(22-23-17)13-4-6-20-7-5-13;1-23-17(12-5-7-20-8-6-12)10-15(22-23)18(25)21-16(11-24)13-3-2-4-14(19)9-13;1-23-17(10-15(22-23)12-5-7-20-8-6-12)18(25)21-16(11-24)13-3-2-4-14(19)9-13;18-14-3-1-2-12(10-14)4-9-20-17(23)16-11-15(21-22-16)13-5-7-19-8-6-13;17-10-3-1-2-9(6-10)14(8-24)20-15(25)13-7-12(22-23-13)11-4-5-19-16(18)21-11/h3-11,17,26H,1-2H3,(H,22,25)(H,23,24);1-8,10,15,24H,9,11H2,(H,21,25)(H,22,23);2*2-10,16,24H,11H2,1H3,(H,21,25);1-3,5-8,10-11H,4,9H2,(H,20,23)(H,21,22);1-7,14,24H,8H2,(H,20,25)(H,22,23)(H2,18,19,21)/t;;;;;14-/m.....1/s1.
What are the key properties of 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 2061.03 g/mol, XLogP of 13.63, 31 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide;N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-chlorophenyl)-3-hydroxypropan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1-methyl-5-pyridin-4-ylpyrazole-3-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 158575022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).