N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C15H24ClN3O — CID 103969422

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2(CCl)CCCCC2)n(C)n1
InChIInChI=1S/C15H24ClN3O/c1-3-12-9-13(19(2)18-12)14(20)17-11-15(10-16)7-5-4-6-8-15/h9H,3-8,10-11H2,1-2H3,(H,17,20)
InChIKeyRAAMOQUMSIUWQQ-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.90
Rot. Bonds5

About N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 103969422) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID103969422
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2(CCl)CCCCC2)n(C)n1
InChIInChI=1S/C15H24ClN3O/c1-3-12-9-13(19(2)18-12)14(20)17-11-15(10-16)7-5-4-6-8-15/h9H,3-8,10-11H2,1-2H3,(H,17,20)
InChIKeyRAAMOQUMSIUWQQ-UHFFFAOYSA-N
XLogP2.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.90
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

N-[[1-(aminomethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103970100
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
N-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole-5-carboxamide
CID 115455858
3-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-5-carboxamide
CID 113313377
1-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433032
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 113294619
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120336
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 103969422) is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCC2(CCl)CCCCC2)n(C)n1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is RAAMOQUMSIUWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-12-9-13(19(2)18-12)14(20)17-11-15(10-16)7-5-4-6-8-15/h9H,3-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 103969422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).