2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide

C15H18ClN3O — CID 19346727

IUPAC2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
SMILESCc1cccc(Cn2nc(C)c(NC(=O)CCl)c2C)c1
InChIInChI=1S/C15H18ClN3O/c1-10-5-4-6-13(7-10)9-19-12(3)15(11(2)18-19)17-14(20)8-16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyHWMGTDMLFTZOMO-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.03
Rot. Bonds4

About 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide

2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 19346727) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
PubChem CID19346727
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
SMILESCc1cccc(Cn2nc(C)c(NC(=O)CCl)c2C)c1
InChIInChI=1S/C15H18ClN3O/c1-10-5-4-6-13(7-10)9-19-12(3)15(11(2)18-19)17-14(20)8-16/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyHWMGTDMLFTZOMO-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19405940
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19346593
1-(2-chloro-4-methylphenyl)-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17183233
1-butan-2-yl-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17249732
1-[(2R)-butan-2-yl]-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea
CID 29057298
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 19346724
1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-(2,3-dimethylphenyl)urea
CID 17183197
ethyl 3-[[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]carbamoylamino]propanoate
CID 17183235
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3,5-dinitrobenzamide
CID 19338645
1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-phenylthiourea
CID 19344248
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19525315
5-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-methoxybenzamide
CID 19346674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide (CID 19346727) is 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide is Cc1cccc(Cn2nc(C)c(NC(=O)CCl)c2C)c1.
What is the InChIKey of 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is HWMGTDMLFTZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-5-4-6-13(7-10)9-19-12(3)15(11(2)18-19)17-14(20)8-16/h4-7H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide?
2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 291.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 19346727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).