4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole

C15H25ClN2 — CID 64767419

IUPAC4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole
SMILESCCn1cc(C(C)(C)C2CCC(C)CC2Cl)cn1
InChIInChI=1S/C15H25ClN2/c1-5-18-10-12(9-17-18)15(3,4)13-7-6-11(2)8-14(13)16/h9-11,13-14H,5-8H2,1-4H3
InChIKeyMNMDRISWDMEOGO-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.22
Rot. Bonds3

About 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole

4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole (PubChem CID 64767419) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole
PubChem CID64767419
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole
SMILESCCn1cc(C(C)(C)C2CCC(C)CC2Cl)cn1
InChIInChI=1S/C15H25ClN2/c1-5-18-10-12(9-17-18)15(3,4)13-7-6-11(2)8-14(13)16/h9-11,13-14H,5-8H2,1-4H3
InChIKeyMNMDRISWDMEOGO-UHFFFAOYSA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole?
The IUPAC name of 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole (CID 64767419) is 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole.
What is the SMILES notation for 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole?
The canonical SMILES for 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole is CCn1cc(C(C)(C)C2CCC(C)CC2Cl)cn1.
What is the InChIKey of 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole?
The InChIKey is MNMDRISWDMEOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-18-10-12(9-17-18)15(3,4)13-7-6-11(2)8-14(13)16/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole?
4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole has a molecular weight of 268.83 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1-ethylpyrazole is sourced from PubChem (CID 64767419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).