5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide

C20H22N4O — CID 122143589

IUPAC5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cnccc2-c2ccccc2)cnn1CC(C)C
InChIInChI=1S/C20H22N4O/c1-14(2)13-24-15(3)18(11-22-24)20(25)23-19-12-21-10-9-17(19)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,23,25)
InChIKeyGHWAPFRGDJFNNU-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.16
Rot. Bonds5

About 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide

5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide (PubChem CID 122143589) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
PubChem CID122143589
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cnccc2-c2ccccc2)cnn1CC(C)C
InChIInChI=1S/C20H22N4O/c1-14(2)13-24-15(3)18(11-22-24)20(25)23-19-12-21-10-9-17(19)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,23,25)
InChIKeyGHWAPFRGDJFNNU-UHFFFAOYSA-N
XLogP4.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 120526226
2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 120518043
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 166192253
2-phenyl-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 134551581
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218469
4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-4-phenylbutanoic acid
CID 120518942
2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
CID 68530289
N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 126827385
1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120512739
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 110004266
3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120532558
3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-5-methylsulfonylbenzoic acid
CID 120529440

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide (CID 122143589) is 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cnccc2-c2ccccc2)cnn1CC(C)C.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is GHWAPFRGDJFNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(2)13-24-15(3)18(11-22-24)20(25)23-19-12-21-10-9-17(19)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,23,25).
What are the key properties of 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide?
5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 122143589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).