N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide

C18H25ClN4O — CID 91838587

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide
SMILESCc1cc(C)c(NC(=O)CCN(C)CCCn2cccn2)c(Cl)c1
InChIInChI=1S/C18H25ClN4O/c1-14-12-15(2)18(16(19)13-14)21-17(24)6-11-22(3)8-5-10-23-9-4-7-20-23/h4,7,9,12-13H,5-6,8,10-11H2,1-3H3,(H,21,24)
InChIKeyPCGZVHMPYQDCKT-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.50
Rot. Bonds8

About N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide (PubChem CID 91838587) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide
PubChem CID91838587
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide
SMILESCc1cc(C)c(NC(=O)CCN(C)CCCn2cccn2)c(Cl)c1
InChIInChI=1S/C18H25ClN4O/c1-14-12-15(2)18(16(19)13-14)21-17(24)6-11-22(3)8-5-10-23-9-4-7-20-23/h4,7,9,12-13H,5-6,8,10-11H2,1-3H3,(H,21,24)
InChIKeyPCGZVHMPYQDCKT-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea
CID 118782620
N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 42255415
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 91834471
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 62687923
3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113122292
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9289324
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136366
3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 46261847

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide (CID 91838587) is N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide is Cc1cc(C)c(NC(=O)CCN(C)CCCn2cccn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide?
The InChIKey is PCGZVHMPYQDCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-14-12-15(2)18(16(19)13-14)21-17(24)6-11-22(3)8-5-10-23-9-4-7-20-23/h4,7,9,12-13H,5-6,8,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide has a molecular weight of 348.88 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide is sourced from PubChem (CID 91838587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).