1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine

C12H19F2N3 — CID 126741464

IUPAC1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H19F2N3/c1-8(2)10-7-11(15)17(16-10)9-3-5-12(13,14)6-4-9/h7-9H,3-6,15H2,1-2H3
InChIKeyOXOJFSNICOAMDB-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.34
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine

1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine (PubChem CID 126741464) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine
PubChem CID126741464
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H19F2N3/c1-8(2)10-7-11(15)17(16-10)9-3-5-12(13,14)6-4-9/h7-9H,3-6,15H2,1-2H3
InChIKeyOXOJFSNICOAMDB-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-Butyl-1-methyl-1H-pyrazol-5-amine
CID 2735287
3-cyclopropyl-1-methyl-1H-pyrazol-5-amine
CID 2735311
1-tert-butyl-3-cyclopropyl-1H-pyrazol-5-amine
CID 3502114
1-Cyclohexyl-3-methyl-1H-pyrazol-5-amine
CID 4571951
1,3-bis(propan-2-yl)-1H-pyrazol-5-amine
CID 12763781
3-cyclohexyl-1-methyl-1H-pyrazol-5-amine
CID 13324829
3-Isopropyl-1-methyl-1H-pyrazol-5-amine
CID 2759499
3-cyclopentyl-1-methyl-1H-pyrazol-5-amine
CID 11367197
3-Cyclobutyl-1-methyl-1H-pyrazol-5-amine
CID 13324828
1-methyl-3-(2-methylpropyl)-1H-pyrazol-5-amine
CID 13861127
3-ethyl-1-methyl-1H-pyrazol-5-amine
CID 15135782
1-methyl-3-propyl-1H-pyrazol-5-amine
CID 15135791

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine (CID 126741464) is 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine is CC(C)c1cc(N)n(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine?
The InChIKey is OXOJFSNICOAMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-8(2)10-7-11(15)17(16-10)9-3-5-12(13,14)6-4-9/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine?
1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine has a molecular weight of 243.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 126741464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).