N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide

C11H16ClN3O — CID 106366042

IUPACN-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCC2CCl)cn1
InChIInChI=1S/C11H16ClN3O/c1-15-7-9(6-13-15)11(16)14-10-4-2-3-8(10)5-12/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyMPQAIPLQWFTSNI-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.56
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide

N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide (PubChem CID 106366042) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
PubChem CID106366042
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCC2CCl)cn1
InChIInChI=1S/C11H16ClN3O/c1-15-7-9(6-13-15)11(16)14-10-4-2-3-8(10)5-12/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyMPQAIPLQWFTSNI-UHFFFAOYSA-N
XLogP1.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.56
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-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106365913
N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119600768
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 63326138
1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide (CID 106366042) is N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCC2CCl)cn1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MPQAIPLQWFTSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15-7-9(6-13-15)11(16)14-10-4-2-3-8(10)5-12/h6-8,10H,2-5H2,1H3,(H,14,16).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide?
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 106366042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).