5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide

C17H18N4O — CID 6888929

IUPAC5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(C2CC2)[nH]n1)=C\c1ccccc1
InChIInChI=1S/C17H18N4O/c1-12(9-13-5-3-2-4-6-13)11-18-21-17(22)16-10-15(19-20-16)14-7-8-14/h2-6,9-11,14H,7-8H2,1H3,(H,19,20)(H,21,22)/b12-9+,18-11+
InChIKeyVCNDAWOKWJLRSO-SOWMPKKWSA-N
MW294.36 g/mol
LogP3.11
Rot. Bonds5

About 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (PubChem CID 6888929) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
PubChem CID6888929
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCC(/C=N/NC(=O)c1cc(C2CC2)[nH]n1)=C\c1ccccc1
InChIInChI=1S/C17H18N4O/c1-12(9-13-5-3-2-4-6-13)11-18-21-17(22)16-10-15(19-20-16)14-7-8-14/h2-6,9-11,14H,7-8H2,1H3,(H,19,20)(H,21,22)/b12-9+,18-11+
InChIKeyVCNDAWOKWJLRSO-SOWMPKKWSA-N
XLogP3.11
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (CID 6888929) is 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is CC(/C=N/NC(=O)c1cc(C2CC2)[nH]n1)=C\c1ccccc1.
What is the InChIKey of 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The InChIKey is VCNDAWOKWJLRSO-SOWMPKKWSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12(9-13-5-3-2-4-6-13)11-18-21-17(22)16-10-15(19-20-16)14-7-8-14/h2-6,9-11,14H,7-8H2,1H3,(H,19,20)(H,21,22)/b12-9+,18-11+.
What are the key properties of 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6888929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).