N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide

C20H26N4O2 — CID 166414015

IUPACN-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N(CC(C)C)c2cnn(CC)c2)cc1
InChIInChI=1S/C20H26N4O2/c1-6-19(25)22(5)17-10-8-16(9-11-17)20(26)24(13-15(3)4)18-12-21-23(7-2)14-18/h6,8-12,14-15H,1,7,13H2,2-5H3
InChIKeyJAOHIABOAIOKEU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.35
Rot. Bonds7

About N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide

N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide (PubChem CID 166414015) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide
PubChem CID166414015
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N(CC(C)C)c2cnn(CC)c2)cc1
InChIInChI=1S/C20H26N4O2/c1-6-19(25)22(5)17-10-8-16(9-11-17)20(26)24(13-15(3)4)18-12-21-23(7-2)14-18/h6,8-12,14-15H,1,7,13H2,2-5H3
InChIKeyJAOHIABOAIOKEU-UHFFFAOYSA-N
XLogP3.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-Pyrazol-1-yl)benzaldehyde
CID 2776477
1-benzoyl-4-nitro-1H-pyrazole
CID 674651
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
4-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874841
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 833522
4-nitro-1-methyl-N-[4-(piperidin-1-ylcarbonyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1223865
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 25122009
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 25122012
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 56658415

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide (CID 166414015) is N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide is C=CC(=O)N(C)c1ccc(C(=O)N(CC(C)C)c2cnn(CC)c2)cc1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide?
The InChIKey is JAOHIABOAIOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-6-19(25)22(5)17-10-8-16(9-11-17)20(26)24(13-15(3)4)18-12-21-23(7-2)14-18/h6,8-12,14-15H,1,7,13H2,2-5H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide?
N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 166414015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).