5-(3,3-difluorocyclohexyl)-1-methylpyrazole

C10H14F2N2 — CID 134224471

IUPAC5-(3,3-difluorocyclohexyl)-1-methylpyrazole
SMILESCn1nccc1C1CCCC(F)(F)C1
InChIInChI=1S/C10H14F2N2/c1-14-9(4-6-13-14)8-3-2-5-10(11,12)7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeySMDSYGWPRQOUEA-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.71
Rot. Bonds1

About 5-(3,3-difluorocyclohexyl)-1-methylpyrazole

5-(3,3-difluorocyclohexyl)-1-methylpyrazole (PubChem CID 134224471) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 5-(3,3-difluorocyclohexyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(3,3-difluorocyclohexyl)-1-methylpyrazole
PubChem CID134224471
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name5-(3,3-difluorocyclohexyl)-1-methylpyrazole
SMILESCn1nccc1C1CCCC(F)(F)C1
InChIInChI=1S/C10H14F2N2/c1-14-9(4-6-13-14)8-3-2-5-10(11,12)7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeySMDSYGWPRQOUEA-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3,3-difluorocyclohexyl)-1-methylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorocyclohexyl)-1-methylpyrazole?
The IUPAC name of 5-(3,3-difluorocyclohexyl)-1-methylpyrazole (CID 134224471) is 5-(3,3-difluorocyclohexyl)-1-methylpyrazole.
What is the SMILES notation for 5-(3,3-difluorocyclohexyl)-1-methylpyrazole?
The canonical SMILES for 5-(3,3-difluorocyclohexyl)-1-methylpyrazole is Cn1nccc1C1CCCC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluorocyclohexyl)-1-methylpyrazole?
The InChIKey is SMDSYGWPRQOUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-14-9(4-6-13-14)8-3-2-5-10(11,12)7-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 5-(3,3-difluorocyclohexyl)-1-methylpyrazole?
5-(3,3-difluorocyclohexyl)-1-methylpyrazole has a molecular weight of 200.23 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorocyclohexyl)-1-methylpyrazole is sourced from PubChem (CID 134224471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).