1-[(4,4-difluorocyclohexyl)methyl]pyrazole

C10H14F2N2 — CID 89497998

IUPAC1-[(4,4-difluorocyclohexyl)methyl]pyrazole
SMILESFC1(F)CCC(Cn2cccn2)CC1
InChIInChI=1S/C10H14F2N2/c11-10(12)4-2-9(3-5-10)8-14-7-1-6-13-14/h1,6-7,9H,2-5,8H2
InChIKeyBXGJTFPBQFWBNM-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.71
Rot. Bonds2

About 1-[(4,4-difluorocyclohexyl)methyl]pyrazole

1-[(4,4-difluorocyclohexyl)methyl]pyrazole (PubChem CID 89497998) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]pyrazole
PubChem CID89497998
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]pyrazole
SMILESFC1(F)CCC(Cn2cccn2)CC1
InChIInChI=1S/C10H14F2N2/c11-10(12)4-2-9(3-5-10)8-14-7-1-6-13-14/h1,6-7,9H,2-5,8H2
InChIKeyBXGJTFPBQFWBNM-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]pyrazole?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]pyrazole (CID 89497998) is 1-[(4,4-difluorocyclohexyl)methyl]pyrazole.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]pyrazole?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]pyrazole is FC1(F)CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]pyrazole?
The InChIKey is BXGJTFPBQFWBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-10(12)4-2-9(3-5-10)8-14-7-1-6-13-14/h1,6-7,9H,2-5,8H2.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]pyrazole?
1-[(4,4-difluorocyclohexyl)methyl]pyrazole has a molecular weight of 200.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]pyrazole is sourced from PubChem (CID 89497998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).