1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide

C20H18N6O — CID 97088156

IUPAC1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cn[nH]c1
InChIInChI=1S/C20H18N6O/c1-14(16-11-22-23-12-16)24-20(27)18-13-26(17-7-3-2-4-8-17)25-19(18)15-6-5-9-21-10-15/h2-14H,1H3,(H,22,23)(H,24,27)/t14-/m1/s1
InChIKeyVFEJMCHSCRKTCP-CQSZACIVSA-N
MW358.41 g/mol
LogP3.15
Rot. Bonds5

About 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide

1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 97088156) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID97088156
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cn[nH]c1
InChIInChI=1S/C20H18N6O/c1-14(16-11-22-23-12-16)24-20(27)18-13-26(17-7-3-2-4-8-17)25-19(18)15-6-5-9-21-10-15/h2-14H,1H3,(H,22,23)(H,24,27)/t14-/m1/s1
InChIKeyVFEJMCHSCRKTCP-CQSZACIVSA-N
XLogP3.15
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylsulfanylphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46432603
1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 41259195
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 47026926
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 2440747
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide (CID 97088156) is 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide is C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cn[nH]c1.
What is the InChIKey of 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is VFEJMCHSCRKTCP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18N6O/c1-14(16-11-22-23-12-16)24-20(27)18-13-26(17-7-3-2-4-8-17)25-19(18)15-6-5-9-21-10-15/h2-14H,1H3,(H,22,23)(H,24,27)/t14-/m1/s1.
What are the key properties of 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide?
1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 97088156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).