3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole

C15H25BrN2 — CID 64778967

IUPAC3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
SMILESCC(Br)CC(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H25BrN2/c1-12(10-13(2)16)11-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyBAYWWVICWGOCMO-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.74
Rot. Bonds5

About 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole

3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole (PubChem CID 64778967) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
PubChem CID64778967
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
SMILESCC(Br)CC(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H25BrN2/c1-12(10-13(2)16)11-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyBAYWWVICWGOCMO-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.74
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

3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
5-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64778196
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
N-[3-(1-cyclohexylpyrazol-3-yl)-2-methylpropyl]cyclobutanamine
CID 114899185
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole?
The IUPAC name of 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole (CID 64778967) is 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole.
What is the SMILES notation for 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole?
The canonical SMILES for 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole is CC(Br)CC(C)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole?
The InChIKey is BAYWWVICWGOCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-12(10-13(2)16)11-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3.
What are the key properties of 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole?
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole has a molecular weight of 313.28 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole is sourced from PubChem (CID 64778967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).