N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

C20H25N5O2 — CID 77092614

IUPACN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)n(C)n1
InChIInChI=1S/C20H25N5O2/c1-12-18(14(3)24(4)22-12)16-11-17(25(5)23-16)20(27)21-13(2)19(26)15-9-7-6-8-10-15/h6-11,13,19,26H,1-5H3,(H,21,27)/t13-,19-/m0/s1
InChIKeyZKOMXSSMWOKKPZ-DJJJIMSYSA-N
MW367.45 g/mol
LogP2.29
Rot. Bonds5

About N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 77092614) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID77092614
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)n(C)n1
InChIInChI=1S/C20H25N5O2/c1-12-18(14(3)24(4)22-12)16-11-17(25(5)23-16)20(27)21-13(2)19(26)15-9-7-6-8-10-15/h6-11,13,19,26H,1-5H3,(H,21,27)/t13-,19-/m0/s1
InChIKeyZKOMXSSMWOKKPZ-DJJJIMSYSA-N
XLogP2.29
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)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

Related Compounds

3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142417949
4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
CID 138756829
5-N-(1-hydroxypropan-2-yl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418047
5-N-(2-hydroxyethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418230
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
CID 147447652
5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 153297970
1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide
CID 153297983
N-[(2S)-3-[3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 44517711
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 45270212
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 45271038
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 45272753
4-[1-[[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino]ethyl]Benzoic acid
CID 155538389

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (CID 77092614) is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)n(C)n1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is ZKOMXSSMWOKKPZ-DJJJIMSYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12-18(14(3)24(4)22-12)16-11-17(25(5)23-16)20(27)21-13(2)19(26)15-9-7-6-8-10-15/h6-11,13,19,26H,1-5H3,(H,21,27)/t13-,19-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 77092614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).