5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide

C16H18N4O — CID 760934

IUPAC5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C2CC2)[nH]n1)c1ccc(C)cc1
InChIInChI=1S/C16H18N4O/c1-10-3-5-12(6-4-10)11(2)17-20-16(21)15-9-14(18-19-15)13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWIABNQXUNUOVDQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.75
Rot. Bonds4

About 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 760934) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID760934
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1cc(C2CC2)[nH]n1)c1ccc(C)cc1
InChIInChI=1S/C16H18N4O/c1-10-3-5-12(6-4-10)11(2)17-20-16(21)15-9-14(18-19-15)13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWIABNQXUNUOVDQ-UHFFFAOYSA-N
XLogP2.75
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.75
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

5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 5424926
5-cyclopropyl-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 946133
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 51057011
5-cyclopropyl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-3-carboxamide
CID 930299
N-[1-(4-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 828961
5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 47161141
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 4284932
N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 71951735
N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 742328
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
CID 4581588
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide (CID 760934) is 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide is CC(=NNC(=O)c1cc(C2CC2)[nH]n1)c1ccc(C)cc1.
What is the InChIKey of 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is WIABNQXUNUOVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-3-5-12(6-4-10)11(2)17-20-16(21)15-9-14(18-19-15)13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 760934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).