3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide

C13H14ClN3O — CID 43429706

IUPAC3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cn[nH]c2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-9-2-3-10(6-12(9)14)4-5-13(18)17-11-7-15-16-8-11/h2-3,6-8H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyMCZLYRCDDGJNMS-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.94
Rot. Bonds4

About 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide

3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 43429706) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide
PubChem CID43429706
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cn[nH]c2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-9-2-3-10(6-12(9)14)4-5-13(18)17-11-7-15-16-8-11/h2-3,6-8H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyMCZLYRCDDGJNMS-UHFFFAOYSA-N
XLogP2.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
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3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
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2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
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2-[3-(3-chloro-4-methylphenyl)propanoylamino]thiophene-3-carboxylic acid
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3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
CID 100593249
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
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3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
CID 51096700
N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide
CID 46662074

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide (CID 43429706) is 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide is Cc1ccc(CCC(=O)Nc2cn[nH]c2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is MCZLYRCDDGJNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-2-3-10(6-12(9)14)4-5-13(18)17-11-7-15-16-8-11/h2-3,6-8H,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide?
3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 263.73 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 43429706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).