2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

C15H22ClN3O — CID 154880279

IUPAC2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CN(CC2CC=CCC2)C(=O)CCl)cnn1C
InChIInChI=1S/C15H22ClN3O/c1-12-14(9-17-18(12)2)11-19(15(20)8-16)10-13-6-4-3-5-7-13/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyVLMODYBPMPUUFH-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.65
Rot. Bonds5

About 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 154880279) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID154880279
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CN(CC2CC=CCC2)C(=O)CCl)cnn1C
InChIInChI=1S/C15H22ClN3O/c1-12-14(9-17-18(12)2)11-19(15(20)8-16)10-13-6-4-3-5-7-13/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyVLMODYBPMPUUFH-UHFFFAOYSA-N
XLogP2.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(cyclopropylmethyl)-N-[(1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide
CID 141493095
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 79584745
2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid
CID 79596439
N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide
CID 166214843
1,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylpyrazole-4-carboxamide
CID 79720334
N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 16677043
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 22771483
cyclohex-3-en-1-ylmethyl 3-(4-methylpyrazol-1-yl)propanoate
CID 87044487
2-chloro-N-[[2-(cyclobutylmethyl)pyrazol-3-yl]methyl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 166415643
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19456466
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 154880279) is 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is Cc1c(CN(CC2CC=CCC2)C(=O)CCl)cnn1C.
What is the InChIKey of 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is VLMODYBPMPUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-12-14(9-17-18(12)2)11-19(15(20)8-16)10-13-6-4-3-5-7-13/h3-4,9,13H,5-8,10-11H2,1-2H3.
What are the key properties of 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 154880279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).