3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide

C13H14ClN3O — CID 19544009

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-10-12(14)9-17(16-10)8-7-13(18)15-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18)
InChIKeyDPUCQOZZEQPFDL-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.87
Rot. Bonds4

About 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide

3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide (PubChem CID 19544009) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
PubChem CID19544009
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-10-12(14)9-17(16-10)8-7-13(18)15-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18)
InChIKeyDPUCQOZZEQPFDL-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]benzoic acid
CID 19584106
3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19543983
N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19543953
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19544172
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19544124
3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561959
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544076
3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
CID 19544155
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19544109
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
CID 19575410
2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide
CID 166474091
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565666

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide (CID 19544009) is 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide is Cc1nn(CCC(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide?
The InChIKey is DPUCQOZZEQPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-10-12(14)9-17(16-10)8-7-13(18)15-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18).
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide?
3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide has a molecular weight of 263.73 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 19544009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).