N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide

C21H20N4O2 — CID 155515323

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc(C(=O)NC2CC2)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H20N4O2/c26-20(17-13-23-25(14-17)19-4-2-1-3-5-19)22-12-15-6-8-16(9-7-15)21(27)24-18-10-11-18/h1-9,13-14,18H,10-12H2,(H,22,26)(H,24,27)
InChIKeyJHDXPBOKKDLJRY-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.69
Rot. Bonds6

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 155515323) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID155515323
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc(C(=O)NC2CC2)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H20N4O2/c26-20(17-13-23-25(14-17)19-4-2-1-3-5-19)22-12-15-6-8-16(9-7-15)21(27)24-18-10-11-18/h1-9,13-14,18H,10-12H2,(H,22,26)(H,24,27)
InChIKeyJHDXPBOKKDLJRY-UHFFFAOYSA-N
XLogP2.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
SR-318
CID 139030333
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-4-(trifluoromethyl)benzamide
CID 135869418
4-fluoro-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869427
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 139030331
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
5-amino-N-((4-(((2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl)carbamoyl)phenyl)methyl)-1-phenylpyrazole-4-carboxamide
CID 121232441
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869416
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-2-phenylacetamide
CID 135869428

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (CID 155515323) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is O=C(NCc1ccc(C(=O)NC2CC2)cc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is JHDXPBOKKDLJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(17-13-23-25(14-17)19-4-2-1-3-5-19)22-12-15-6-8-16(9-7-15)21(27)24-18-10-11-18/h1-9,13-14,18H,10-12H2,(H,22,26)(H,24,27).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155515323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).