N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C34H31ClN8O4 — CID 158444629

IUPACN-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](CO)c1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H15ClN4O2.C17H16N4O2/c18-13-3-1-2-12(8-13)16(10-23)20-17(24)15-9-14(21-22-15)11-4-6-19-7-5-11;22-11-16(12-4-2-1-3-5-12)19-17(23)15-10-14(20-21-15)13-6-8-18-9-7-13/h1-9,16,23H,10H2,(H,20,24)(H,21,22);1-10,16,22H,11H2,(H,19,23)(H,20,21)/t2*16-/m11/s1
InChIKeyHDFVYXXIHOTOCV-RWVWGXEFSA-N
MW651.13 g/mol
LogP4.52
Rot. Bonds10

About N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 158444629) has the molecular formula C34H31ClN8O4 and a molecular weight of 651.13 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID158444629
Molecular FormulaC34H31ClN8O4
Molecular Weight651.13 g/mol
Exact Mass650.22
IUPAC NameN-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](CO)c1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H15ClN4O2.C17H16N4O2/c18-13-3-1-2-12(8-13)16(10-23)20-17(24)15-9-14(21-22-15)11-4-6-19-7-5-11;22-11-16(12-4-2-1-3-5-12)19-17(23)15-10-14(20-21-15)13-6-8-18-9-7-13/h1-9,16,23H,10H2,(H,20,24)(H,21,22);1-10,16,22H,11H2,(H,19,23)(H,20,21)/t2*16-/m11/s1
InChIKeyHDFVYXXIHOTOCV-RWVWGXEFSA-N
XLogP4.52
TPSA181.80 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.13
LogP ≤ 54.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-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 N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 158444629) is N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is O=C(N[C@H](CO)c1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is HDFVYXXIHOTOCV-RWVWGXEFSA-N. The full InChI is InChI=1S/C17H15ClN4O2.C17H16N4O2/c18-13-3-1-2-12(8-13)16(10-23)20-17(24)15-9-14(21-22-15)11-4-6-19-7-5-11;22-11-16(12-4-2-1-3-5-12)19-17(23)15-10-14(20-21-15)13-6-8-18-9-7-13/h1-9,16,23H,10H2,(H,20,24)(H,21,22);1-10,16,22H,11H2,(H,19,23)(H,20,21)/t2*16-/m11/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 651.13 g/mol, XLogP of 4.52, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 158444629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).