N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide

C17H18N4O2 — CID 35747688

IUPACN-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide
SMILESCn1ccc(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C17H18N4O2/c1-21-11-10-15(20-21)19-16(22)9-4-12-2-5-13(6-3-12)17(23)18-14-7-8-14/h2-6,9-11,14H,7-8H2,1H3,(H,18,23)(H,19,20,22)/b9-4+
InChIKeyYYXVQJQULQBHDR-RUDMXATFSA-N
MW310.36 g/mol
LogP1.96
Rot. Bonds5

About N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide (PubChem CID 35747688) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide
PubChem CID35747688
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide
SMILESCn1ccc(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C17H18N4O2/c1-21-11-10-15(20-21)19-16(22)9-4-12-2-5-13(6-3-12)17(23)18-14-7-8-14/h2-6,9-11,14H,7-8H2,1H3,(H,18,23)(H,19,20,22)/b9-4+
InChIKeyYYXVQJQULQBHDR-RUDMXATFSA-N
XLogP1.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 8810757
4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
(E)-N-(1-methylpyrazol-3-yl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 134026287
N-cyclopropyl-4-[(E)-3-(4-methylsulfanylanilino)-3-oxoprop-1-enyl]benzamide
CID 35736991
N-cyclopropyl-4-[(E)-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]anilino]-3-oxoprop-1-enyl]benzamide
CID 55981133
N-cyclopropyl-4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzamide
CID 35556282
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881
N-cyclopropyl-4-[(E)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxoprop-1-enyl]benzamide
CID 35505774
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
CID 35504273

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide (CID 35747688) is N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide is Cn1ccc(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)n1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is YYXVQJQULQBHDR-RUDMXATFSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-11-10-15(20-21)19-16(22)9-4-12-2-5-13(6-3-12)17(23)18-14-7-8-14/h2-6,9-11,14H,7-8H2,1H3,(H,18,23)(H,19,20,22)/b9-4+.
What are the key properties of N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 310.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 35747688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).