2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide

C15H24ClN3O — CID 154880338

IUPAC2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide
SMILESCCn1cc(CN(C(=O)CCl)C2CCC(C)CC2)cn1
InChIInChI=1S/C15H24ClN3O/c1-3-18-10-13(9-17-18)11-19(15(20)8-16)14-6-4-12(2)5-7-14/h9-10,12,14H,3-8,11H2,1-2H3
InChIKeyCPTKUMPGCSGGBI-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.05
Rot. Bonds5

About 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide

2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 154880338) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide
PubChem CID154880338
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide
SMILESCCn1cc(CN(C(=O)CCl)C2CCC(C)CC2)cn1
InChIInChI=1S/C15H24ClN3O/c1-3-18-10-13(9-17-18)11-19(15(20)8-16)14-6-4-12(2)5-7-14/h9-10,12,14H,3-8,11H2,1-2H3
InChIKeyCPTKUMPGCSGGBI-UHFFFAOYSA-N
XLogP3.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.05
H-Bond Donors ≤ 50
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-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid
CID 62125880
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899
3-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 55041385
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]ethanol
CID 62128079
2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
CID 166416305
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119060916
N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 62977038
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide (CID 154880338) is 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide is CCn1cc(CN(C(=O)CCl)C2CCC(C)CC2)cn1.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is CPTKUMPGCSGGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-18-10-13(9-17-18)11-19(15(20)8-16)14-6-4-12(2)5-7-14/h9-10,12,14H,3-8,11H2,1-2H3.
What are the key properties of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide?
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 297.83 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 154880338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).