1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide

C21H20N6O — CID 47026926

IUPAC1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C21H20N6O/c1-16(14-26-12-6-11-23-26)24-21(28)19-15-27(18-8-3-2-4-9-18)25-20(19)17-7-5-10-22-13-17/h2-13,15-16H,14H2,1H3,(H,24,28)
InChIKeyNBESBFKJMMVIKS-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.95
Rot. Bonds6

About 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide

1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 47026926) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID47026926
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C21H20N6O/c1-16(14-26-12-6-11-23-26)24-21(28)19-15-27(18-8-3-2-4-9-18)25-20(19)17-7-5-10-22-13-17/h2-13,15-16H,14H2,1H3,(H,24,28)
InChIKeyNBESBFKJMMVIKS-UHFFFAOYSA-N
XLogP2.95
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
3-(4-ethylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55965213
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
N-[1-(4-methylsulfanylphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46432603
1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 97088156
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 41259195
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide (CID 47026926) is 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide is CC(Cn1cccn1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is NBESBFKJMMVIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-16(14-26-12-6-11-23-26)24-21(28)19-15-27(18-8-3-2-4-9-18)25-20(19)17-7-5-10-22-13-17/h2-13,15-16H,14H2,1H3,(H,24,28).
What are the key properties of 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide?
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 47026926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).