3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide

C13H15ClN4O2 — CID 51096700

IUPAC3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H15ClN4O2/c1-20-12-3-2-9(14)6-11(12)15-5-4-13(19)18-10-7-16-17-8-10/h2-3,6-8,15H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyUNWMKMUCBWQIOP-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.51
Rot. Bonds6

About 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide

3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 51096700) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
PubChem CID51096700
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H15ClN4O2/c1-20-12-3-2-9(14)6-11(12)15-5-4-13(19)18-10-7-16-17-8-10/h2-3,6-8,15H,4-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyUNWMKMUCBWQIOP-UHFFFAOYSA-N
XLogP2.51
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52782436
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide
CID 51096653
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide (CID 51096700) is 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide is COc1ccc(Cl)cc1NCCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is UNWMKMUCBWQIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-20-12-3-2-9(14)6-11(12)15-5-4-13(19)18-10-7-16-17-8-10/h2-3,6-8,15H,4-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide?
3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 294.74 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 51096700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).