5-(3,3-difluorocyclohexyl)-1H-pyrazole

C9H12F2N2 — CID 175166149

IUPAC5-(3,3-difluorocyclohexyl)-1H-pyrazole
SMILESFC1(F)CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F2N2/c10-9(11)4-1-2-7(6-9)8-3-5-12-13-8/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyPJHZNPZTZWKGFT-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.70
Rot. Bonds1

About 5-(3,3-difluorocyclohexyl)-1H-pyrazole

5-(3,3-difluorocyclohexyl)-1H-pyrazole (PubChem CID 175166149) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 5-(3,3-difluorocyclohexyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,3-difluorocyclohexyl)-1H-pyrazole
PubChem CID175166149
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name5-(3,3-difluorocyclohexyl)-1H-pyrazole
SMILESFC1(F)CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F2N2/c10-9(11)4-1-2-7(6-9)8-3-5-12-13-8/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyPJHZNPZTZWKGFT-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorocyclohexyl)-1H-pyrazole?
The IUPAC name of 5-(3,3-difluorocyclohexyl)-1H-pyrazole (CID 175166149) is 5-(3,3-difluorocyclohexyl)-1H-pyrazole.
What is the SMILES notation for 5-(3,3-difluorocyclohexyl)-1H-pyrazole?
The canonical SMILES for 5-(3,3-difluorocyclohexyl)-1H-pyrazole is FC1(F)CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 5-(3,3-difluorocyclohexyl)-1H-pyrazole?
The InChIKey is PJHZNPZTZWKGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c10-9(11)4-1-2-7(6-9)8-3-5-12-13-8/h3,5,7H,1-2,4,6H2,(H,12,13).
What are the key properties of 5-(3,3-difluorocyclohexyl)-1H-pyrazole?
5-(3,3-difluorocyclohexyl)-1H-pyrazole has a molecular weight of 186.20 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorocyclohexyl)-1H-pyrazole is sourced from PubChem (CID 175166149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).