N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

C22H17BrN4O — CID 1184948

IUPACN-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrN4O/c1-14(15-8-10-19(23)11-9-15)24-27-22(28)21-13-20(25-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13H,1H3,(H,25,26)(H,27,28)
InChIKeyTYJDTPNGMDHWLT-UHFFFAOYSA-N
MW433.31 g/mol
LogP5.15
Rot. Bonds4

About N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 1184948) has the molecular formula C22H17BrN4O and a molecular weight of 433.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID1184948
Molecular FormulaC22H17BrN4O
Molecular Weight433.31 g/mol
Exact Mass432.06
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrN4O/c1-14(15-8-10-19(23)11-9-15)24-27-22(28)21-13-20(25-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13H,1H3,(H,25,26)(H,27,28)
InChIKeyTYJDTPNGMDHWLT-UHFFFAOYSA-N
XLogP5.15
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.31
LogP ≤ 55.15
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
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 5343142
3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1362119
3-(3,4-dimethoxyphenyl)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6021427
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
3-[4-(2-methylpropyl)phenyl]-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 3349069
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
N'-[1-(4-bromophenyl)ethenyl]-3-naphthalen-2-yl-1H-pyrazole-5-carbohydrazide
CID 3486697
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712
3-(3,4-dimethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3944930
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (CID 1184948) is N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is CC(=NNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is TYJDTPNGMDHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O/c1-14(15-8-10-19(23)11-9-15)24-27-22(28)21-13-20(25-26-21)18-7-6-16-4-2-3-5-17(16)12-18/h2-13H,1H3,(H,25,26)(H,27,28).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 433.31 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1184948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).