1-(4,4-difluorocyclohexyl)-4-methylpyrazole

C10H14F2N2 — CID 84733748

IUPAC1-(4,4-difluorocyclohexyl)-4-methylpyrazole
SMILESCc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C10H14F2N2/c1-8-6-13-14(7-8)9-2-4-10(11,12)5-3-9/h6-7,9H,2-5H2,1H3
InChIKeySDNSZYIGVQSMTB-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.94
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-4-methylpyrazole

1-(4,4-difluorocyclohexyl)-4-methylpyrazole (PubChem CID 84733748) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-methylpyrazole
PubChem CID84733748
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-(4,4-difluorocyclohexyl)-4-methylpyrazole
SMILESCc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C10H14F2N2/c1-8-6-13-14(7-8)9-2-4-10(11,12)5-3-9/h6-7,9H,2-5H2,1H3
InChIKeySDNSZYIGVQSMTB-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-cyclohexyl-1H-pyrazole
CID 57416971
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)methanamine
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1-cyclopropyl-4-methyl-1H-pyrazole
CID 66634668
4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine hydrochloride
CID 86775176
1-Methyl-4-(trifluoromethyl)-1H-pyrazole
CID 10920680
1-Tert-butyl-4-(trifluoromethyl)pyrazole
CID 57808376
methyl({[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl})amine
CID 62729927
2-methyl-3-(4-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 64176280
1-[(4,4-Difluorocyclohexyl)methyl]pyrazole-4-carbonitrile
CID 126790427
1-Methyl-4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]pyrazole
CID 126818442
1-(2-Methylpropyl)-4-(trifluoromethyl)pyrazole
CID 20696771
5,5,5-Trifluoro-2-isocyano-2-[(4-methylpyrazol-1-yl)methyl]pentanenitrile
CID 57712384

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methylpyrazole?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methylpyrazole (CID 84733748) is 1-(4,4-difluorocyclohexyl)-4-methylpyrazole.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-methylpyrazole?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-methylpyrazole is Cc1cnn(C2CCC(F)(F)CC2)c1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-methylpyrazole?
The InChIKey is SDNSZYIGVQSMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-8-6-13-14(7-8)9-2-4-10(11,12)5-3-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-methylpyrazole?
1-(4,4-difluorocyclohexyl)-4-methylpyrazole has a molecular weight of 200.23 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4-methylpyrazole is sourced from PubChem (CID 84733748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).