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

C15H21ClN2 — CID 65174892

IUPAC3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole
SMILESClC1C=C(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C15H21ClN2/c16-13-7-6-12(10-13)11-14-8-9-18(17-14)15-4-2-1-3-5-15/h8-10,13,15H,1-7,11H2
InChIKeyMXXFJZNWDMWRKP-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.26
Rot. Bonds3

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

3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole (PubChem CID 65174892) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole
PubChem CID65174892
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole
SMILESClC1C=C(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C15H21ClN2/c16-13-7-6-12(10-13)11-14-8-9-18(17-14)15-4-2-1-3-5-15/h8-10,13,15H,1-7,11H2
InChIKeyMXXFJZNWDMWRKP-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.26
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-methylpyrazole
CID 82871223
3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one
CID 65171984
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
CID 64785748
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole?
The IUPAC name of 3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole (CID 65174892) is 3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole.
What is the SMILES notation for 3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole?
The canonical SMILES for 3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole is ClC1C=C(Cc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole?
The InChIKey is MXXFJZNWDMWRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-13-7-6-12(10-13)11-14-8-9-18(17-14)15-4-2-1-3-5-15/h8-10,13,15H,1-7,11H2.
What are the key properties of 3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole?
3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole has a molecular weight of 264.80 g/mol, XLogP of 4.26, 3 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-cyclohexylpyrazole is sourced from PubChem (CID 65174892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).