3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole

C10H13ClN2 — CID 82871223

IUPAC3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole
SMILESCn1ccc(CC2=CC(Cl)CC2)n1
InChIInChI=1S/C10H13ClN2/c1-13-5-4-10(12-13)7-8-2-3-9(11)6-8/h4-6,9H,2-3,7H2,1H3
InChIKeyVUIZUOVNTASASN-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.29
Rot. Bonds2

About 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole

3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole (PubChem CID 82871223) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole
PubChem CID82871223
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole
SMILESCn1ccc(CC2=CC(Cl)CC2)n1
InChIInChI=1S/C10H13ClN2/c1-13-5-4-10(12-13)7-8-2-3-9(11)6-8/h4-6,9H,2-3,7H2,1H3
InChIKeyVUIZUOVNTASASN-UHFFFAOYSA-N
XLogP2.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole
CID 65174892
3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol
CID 107383609
2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 82869773
3-[(2-chlorocycloheptyl)methyl]-1-methylpyrazole
CID 82876103
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
3-ethyl-1-methylpyrazole;propane
CID 170573719
2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 103131685
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102
1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 82866259
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole?
The IUPAC name of 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole (CID 82871223) is 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole.
What is the SMILES notation for 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole?
The canonical SMILES for 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole is Cn1ccc(CC2=CC(Cl)CC2)n1.
What is the InChIKey of 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole?
The InChIKey is VUIZUOVNTASASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-13-5-4-10(12-13)7-8-2-3-9(11)6-8/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole?
3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole has a molecular weight of 196.68 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole is sourced from PubChem (CID 82871223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).