N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C15H18ClN3O2 — CID 20950820

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)c2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-8(14-9(2)18-19-10(14)3)15(20)17-11-5-6-13(21-4)12(16)7-11/h5-8H,1-4H3,(H,17,20)(H,18,19)
InChIKeyUBPCNGNKJRQNGA-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.43
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 20950820) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID20950820
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)c2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-8(14-9(2)18-19-10(14)3)15(20)17-11-5-6-13(21-4)12(16)7-11/h5-8H,1-4H3,(H,17,20)(H,18,19)
InChIKeyUBPCNGNKJRQNGA-UHFFFAOYSA-N
XLogP3.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780
N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950809
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859494
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 92750043
(3R)-N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylbutanamide
CID 99786376
N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950798
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8554371
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 20950805

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 20950820) is N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is COc1ccc(NC(=O)C(C)c2c(C)n[nH]c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is UBPCNGNKJRQNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-8(14-9(2)18-19-10(14)3)15(20)17-11-5-6-13(21-4)12(16)7-11/h5-8H,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 307.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 20950820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).