1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole

C15H23FN2 — CID 123839644

IUPAC1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole
SMILESCCc1cc(C2C3CC(F)CC32)n(C(C)CC)n1
InChIInChI=1S/C15H23FN2/c1-4-9(3)18-14(8-11(5-2)17-18)15-12-6-10(16)7-13(12)15/h8-10,12-13,15H,4-7H2,1-3H3
InChIKeyOTBCUDSZSNSRSZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.88
Rot. Bonds4

About 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole

1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole (PubChem CID 123839644) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole
PubChem CID123839644
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole
SMILESCCc1cc(C2C3CC(F)CC32)n(C(C)CC)n1
InChIInChI=1S/C15H23FN2/c1-4-9(3)18-14(8-11(5-2)17-18)15-12-6-10(16)7-13(12)15/h8-10,12-13,15H,4-7H2,1-3H3
InChIKeyOTBCUDSZSNSRSZ-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Ditert-butyl-1-propan-2-ylpyrazole
CID 2742034
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826
(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methanamine
CID 33781822
4-(2-ethyl-5-methyl-2H-pyrazol-3-yl)-piperidine
CID 11708208
5-Butyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)pyrazole
CID 21724083
Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
CID 11608470
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 20664188
1-Ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 20664190
1-(2,2-Difluoroethyl)-5-methyl-3-propan-2-ylpyrazole
CID 58029646
5-(1,1-Difluoroethyl)-1-methyl-3-propan-2-ylpyrazole
CID 58029780
1-(1-Fluoroethyl)-3-methyl-5-propan-2-ylpyrazole
CID 58030264
5-Tert-butyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 58157377

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole?
The IUPAC name of 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole (CID 123839644) is 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole?
The canonical SMILES for 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole is CCc1cc(C2C3CC(F)CC32)n(C(C)CC)n1.
What is the InChIKey of 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole?
The InChIKey is OTBCUDSZSNSRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-9(3)18-14(8-11(5-2)17-18)15-12-6-10(16)7-13(12)15/h8-10,12-13,15H,4-7H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole?
1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole has a molecular weight of 250.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole is sourced from PubChem (CID 123839644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).