3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide

C14H17ClN4O2 — CID 51096653

IUPAC3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccn(C)n1
InChIInChI=1S/C14H17ClN4O2/c1-19-8-6-13(18-19)17-14(20)5-7-16-11-9-10(15)3-4-12(11)21-2/h3-4,6,8-9,16H,5,7H2,1-2H3,(H,17,18,20)
InChIKeyRPKUNYCUCOVUQM-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.52
Rot. Bonds6

About 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide

3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 51096653) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID51096653
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccn(C)n1
InChIInChI=1S/C14H17ClN4O2/c1-19-8-6-13(18-19)17-14(20)5-7-16-11-9-10(15)3-4-12(11)21-2/h3-4,6,8-9,16H,5,7H2,1-2H3,(H,17,18,20)
InChIKeyRPKUNYCUCOVUQM-UHFFFAOYSA-N
XLogP2.52
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
CID 51096700
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-2-methylpropanoic acid
CID 119187451
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide (CID 51096653) is 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide is COc1ccc(Cl)cc1NCCC(=O)Nc1ccn(C)n1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is RPKUNYCUCOVUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-19-8-6-13(18-19)17-14(20)5-7-16-11-9-10(15)3-4-12(11)21-2/h3-4,6,8-9,16H,5,7H2,1-2H3,(H,17,18,20).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide?
3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 308.77 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 51096653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).