5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide

C13H16N4O — CID 14118804

IUPAC5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C13H16N4O/c1-9(2)16-13(18)11-8-15-17(12(11)14)10-6-4-3-5-7-10/h3-9H,14H2,1-2H3,(H,16,18)
InChIKeyDMNCFBCPCOZMSD-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.59
Rot. Bonds3

About 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide

5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 14118804) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID14118804
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C13H16N4O/c1-9(2)16-13(18)11-8-15-17(12(11)14)10-6-4-3-5-7-10/h3-9H,14H2,1-2H3,(H,16,18)
InChIKeyDMNCFBCPCOZMSD-UHFFFAOYSA-N
XLogP1.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
CID 15112560
ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate
CID 2763542
N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120505954
ethyl 5-amino-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363371
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 166244329
methyl 5-amino-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363542
5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 2813634
5-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 139012188
5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide
CID 97036087
N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide
CID 171673309
(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate
CID 70483568

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide (CID 14118804) is 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide is CC(C)NC(=O)c1cnn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DMNCFBCPCOZMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(2)16-13(18)11-8-15-17(12(11)14)10-6-4-3-5-7-10/h3-9H,14H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 14118804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).