3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide

C22H22N4O — CID 7326946

IUPAC3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H22N4O/c1-15(18-12-11-16-7-5-6-10-19(16)13-18)23-26-22(27)21-14-20(24-25-21)17-8-3-2-4-9-17/h2-4,8-9,11-14H,5-7,10H2,1H3,(H,24,25)(H,26,27)/b23-15-
InChIKeyIVULFVZIWYXDBU-HAHDFKILSA-N
MW358.45 g/mol
LogP4.11
Rot. Bonds4

About 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide

3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 7326946) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID7326946
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H22N4O/c1-15(18-12-11-16-7-5-6-10-19(16)13-18)23-26-22(27)21-14-20(24-25-21)17-8-3-2-4-9-17/h2-4,8-9,11-14H,5-7,10H2,1H3,(H,24,25)(H,26,27)/b23-15-
InChIKeyIVULFVZIWYXDBU-HAHDFKILSA-N
XLogP4.11
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.11
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

N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
3-(4-fluorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1185508
3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1362119
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6105906
N-[1-(3-nitrophenyl)ethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869991
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
3-[4-(2-methylpropyl)phenyl]-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 3349069
3-(3,4-dimethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3944930
3-(3-nitrophenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3778659
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135625926

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 7326946) is 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is IVULFVZIWYXDBU-HAHDFKILSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15(18-12-11-16-7-5-6-10-19(16)13-18)23-26-22(27)21-14-20(24-25-21)17-8-3-2-4-9-17/h2-4,8-9,11-14H,5-7,10H2,1H3,(H,24,25)(H,26,27)/b23-15-.
What are the key properties of 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 7326946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).