3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide

C15H18ClN3O — CID 19543983

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCc1nn(CCC(=O)NC(C)c2ccccc2)cc1Cl
InChIInChI=1S/C15H18ClN3O/c1-11(13-6-4-3-5-7-13)17-15(20)8-9-19-10-14(16)12(2)18-19/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)
InChIKeyMXUOIVUEPURRDY-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.11
Rot. Bonds5

About 3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide

3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 19543983) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID19543983
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCc1nn(CCC(=O)NC(C)c2ccccc2)cc1Cl
InChIInChI=1S/C15H18ClN3O/c1-11(13-6-4-3-5-7-13)17-15(20)8-9-19-10-14(16)12(2)18-19/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)
InChIKeyMXUOIVUEPURRDY-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19521089
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]benzoic acid
CID 19584106
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19543953
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 91960360
3-(4-chloro-3-methylpyrazol-1-yl)-N-hexylpropanamide
CID 19543945
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide (CID 19543983) is 3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide is Cc1nn(CCC(=O)NC(C)c2ccccc2)cc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is MXUOIVUEPURRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11(13-6-4-3-5-7-13)17-15(20)8-9-19-10-14(16)12(2)18-19/h3-7,10-11H,8-9H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide?
3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 291.78 g/mol, XLogP of 3.11, 5 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-(1-phenylethyl)propanamide is sourced from PubChem (CID 19543983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).