N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide

C20H18N4O — CID 707960

IUPACN-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c1-24-15-14-19(23-24)20(25)22-21-18(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-15H,1H3,(H,22,25)
InChIKeyBAPBSBHTCXNYSV-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.27
Rot. Bonds5

About N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide

N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide (PubChem CID 707960) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide
PubChem CID707960
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c1-24-15-14-19(23-24)20(25)22-21-18(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-15H,1H3,(H,22,25)
InChIKeyBAPBSBHTCXNYSV-UHFFFAOYSA-N
XLogP3.27
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
CID 93028108
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869
N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide
CID 93028204
4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3384778
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
N-[1-(1,3-dioxoinden-2-yl)ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 3730874
1-[(4-bromophenyl)methyl]-N-(4-phenylbut-3-en-2-ylideneamino)pyrazole-3-carboxamide
CID 1271999
N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide
CID 6514335
N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725244
1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
CID 841387

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide (CID 707960) is N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NN=C(C=Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide?
The InChIKey is BAPBSBHTCXNYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24-15-14-19(23-24)20(25)22-21-18(17-10-6-3-7-11-17)13-12-16-8-4-2-5-9-16/h2-15H,1H3,(H,22,25).
What are the key properties of N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide?
N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 707960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).