N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide

C12H18ClN3O — CID 114300573

IUPACN-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2(CCl)CCCC2)cnn1C
InChIInChI=1S/C12H18ClN3O/c1-9-10(7-14-16(9)2)11(17)15-12(8-13)5-3-4-6-12/h7H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyCHTWUYDFXBFYBV-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.01
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide

N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 114300573) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID114300573
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2(CCl)CCCC2)cnn1C
InChIInChI=1S/C12H18ClN3O/c1-9-10(7-14-16(9)2)11(17)15-12(8-13)5-3-4-6-12/h7H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyCHTWUYDFXBFYBV-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.01
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-cyanocyclohexyl)-1,5-dimethylpyrazole-4-carboxamide
CID 60709599
N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61120127
N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-carboxamide
CID 114303346
5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
CID 104625668
N-[1-(chloromethyl)cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672614
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743
N-[1-(chloromethyl)cyclohexyl]-3-methylimidazole-4-carboxamide
CID 103512127
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]butanoyl chloride
CID 19473967
N-(1-ethylcyclopropyl)-5-iodo-1-methylpyrazole-4-carboxamide
CID 130921499

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide (CID 114300573) is N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NC2(CCl)CCCC2)cnn1C.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is CHTWUYDFXBFYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-10(7-14-16(9)2)11(17)15-12(8-13)5-3-4-6-12/h7H,3-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 114300573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).