3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide

C22H17ClN4O — CID 1362119

IUPAC3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C22H17ClN4O/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)24-27-22(28)21-13-20(25-26-21)16-8-10-19(23)11-9-16/h2-13H,1H3,(H,25,26)(H,27,28)
InChIKeyJDAPYFKZZHWILE-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.04
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 1362119) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID1362119
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C22H17ClN4O/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)24-27-22(28)21-13-20(25-26-21)16-8-10-19(23)11-9-16/h2-13H,1H3,(H,25,26)(H,27,28)
InChIKeyJDAPYFKZZHWILE-UHFFFAOYSA-N
XLogP5.04
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1185508
3-[4-(2-methylpropyl)phenyl]-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 3349069
3-(3,4-dimethoxyphenyl)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6021427
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 5343142
N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1184948
N-[(Z)-1-naphthalen-2-ylethylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6003175
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6379565
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
3-(4-fluorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 761753
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712
3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 7326946

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide (CID 1362119) is 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide is CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is JDAPYFKZZHWILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)24-27-22(28)21-13-20(25-26-21)16-8-10-19(23)11-9-16/h2-13H,1H3,(H,25,26)(H,27,28).
What are the key properties of 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1362119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).