4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole

C11H17ClN2 — CID 66035579

IUPAC4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
SMILESCn1cc(CC2(CCl)CCCC2)cn1
InChIInChI=1S/C11H17ClN2/c1-14-8-10(7-13-14)6-11(9-12)4-2-3-5-11/h7-8H,2-6,9H2,1H3
InChIKeyQWFBNWMQSKGKFL-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.76
Rot. Bonds3

About 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole

4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole (PubChem CID 66035579) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
PubChem CID66035579
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
SMILESCn1cc(CC2(CCl)CCCC2)cn1
InChIInChI=1S/C11H17ClN2/c1-14-8-10(7-13-14)6-11(9-12)4-2-3-5-11/h7-8H,2-6,9H2,1H3
InChIKeyQWFBNWMQSKGKFL-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 66034449
4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole
CID 66033317
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 103001877
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465
1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 71920840

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole?
The IUPAC name of 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole (CID 66035579) is 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole is Cn1cc(CC2(CCl)CCCC2)cn1.
What is the InChIKey of 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole?
The InChIKey is QWFBNWMQSKGKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-14-8-10(7-13-14)6-11(9-12)4-2-3-5-11/h7-8H,2-6,9H2,1H3.
What are the key properties of 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole?
4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole has a molecular weight of 212.72 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole is sourced from PubChem (CID 66035579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).