4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine

C11H17F2N3 — CID 146389229

IUPAC4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine
SMILESCc1nn(C(F)F)cc1C1CCC(N)CC1
InChIInChI=1S/C11H17F2N3/c1-7-10(6-16(15-7)11(12)13)8-2-4-9(14)5-3-8/h6,8-9,11H,2-5,14H2,1H3
InChIKeyFRJXHUOZNFJKPN-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.57
Rot. Bonds2

About 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine

4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine (PubChem CID 146389229) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine
PubChem CID146389229
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine
SMILESCc1nn(C(F)F)cc1C1CCC(N)CC1
InChIInChI=1S/C11H17F2N3/c1-7-10(6-16(15-7)11(12)13)8-2-4-9(14)5-3-8/h6,8-9,11H,2-5,14H2,1H3
InChIKeyFRJXHUOZNFJKPN-UHFFFAOYSA-N
XLogP2.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-amine
CID 45121281
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
4-(1,4-dimethyl-1H-pyrazol-5-yl)piperidine
CID 82600316
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)-1-(1-methylcyclopentyl)methanamine hydrochloride
CID 146444800
[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 39869194
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine dihydrochloride
CID 54594814

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine?
The IUPAC name of 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine (CID 146389229) is 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine is Cc1nn(C(F)F)cc1C1CCC(N)CC1.
What is the InChIKey of 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine?
The InChIKey is FRJXHUOZNFJKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-7-10(6-16(15-7)11(12)13)8-2-4-9(14)5-3-8/h6,8-9,11H,2-5,14H2,1H3.
What are the key properties of 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine?
4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 146389229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).