1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide

C24H22N4O — CID 60563144

IUPAC1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1)c1ccccc1
InChIInChI=1S/C24H22N4O/c1-18(19-8-4-2-5-9-19)25-20-12-14-21(15-13-20)26-24(29)23-16-17-28(27-23)22-10-6-3-7-11-22/h2-18,25H,1H3,(H,26,29)
InChIKeySCTXENAPHIFUDC-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.30
Rot. Bonds6

About 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide

1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 60563144) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
PubChem CID60563144
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
SMILESCC(Nc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1)c1ccccc1
InChIInChI=1S/C24H22N4O/c1-18(19-8-4-2-5-9-19)25-20-12-14-21(15-13-20)26-24(29)23-16-17-28(27-23)22-10-6-3-7-11-22/h2-18,25H,1H3,(H,26,29)
InChIKeySCTXENAPHIFUDC-UHFFFAOYSA-N
XLogP5.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 47028819
N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 111116210
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1-phenylpyrazole-3-carboxamide
CID 47068407
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
N-(3-chloro-4-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide
CID 52692836
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 39908296
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 95322595
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide
CID 55668651
1-phenyl-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 60579971
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide (CID 60563144) is 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide is CC(Nc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is SCTXENAPHIFUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-18(19-8-4-2-5-9-19)25-20-12-14-21(15-13-20)26-24(29)23-16-17-28(27-23)22-10-6-3-7-11-22/h2-18,25H,1H3,(H,26,29).
What are the key properties of 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide?
1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 60563144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).