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

C14H14N4O — CID 5343037

IUPAC5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C14H14N4O/c1-11-10-13(17-16-11)14(19)18-15-9-5-8-12-6-3-2-4-7-12/h2-10H,1H3,(H,16,17)(H,18,19)/b8-5+,15-9+
InChIKeyPOLGVTIJEFUDSJ-MSNJMMSUSA-N
MW254.29 g/mol
LogP2.15
Rot. Bonds4

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

5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (PubChem CID 5343037) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
PubChem CID5343037
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C14H14N4O/c1-11-10-13(17-16-11)14(19)18-15-9-5-8-12-6-3-2-4-7-12/h2-10H,1H3,(H,16,17)(H,18,19)/b8-5+,15-9+
InChIKeyPOLGVTIJEFUDSJ-MSNJMMSUSA-N
XLogP2.15
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide (CID 5343037) is 5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/C=C/c2ccccc2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
The InChIKey is POLGVTIJEFUDSJ-MSNJMMSUSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11-10-13(17-16-11)14(19)18-15-9-5-8-12-6-3-2-4-7-12/h2-10H,1H3,(H,16,17)(H,18,19)/b8-5+,15-9+.
What are the key properties of 5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5343037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).