3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine

C12H19F2N3O — CID 162349089

IUPAC3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(C2CCC(OC)CC2)nc1C(F)F
InChIInChI=1S/C12H19F2N3O/c1-15-10-7-17(16-11(10)12(13)14)8-3-5-9(18-2)6-4-8/h7-9,12,15H,3-6H2,1-2H3
InChIKeyNNEALGIZBVHADO-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.99
Rot. Bonds4

About 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine

3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine (PubChem CID 162349089) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine
PubChem CID162349089
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(C2CCC(OC)CC2)nc1C(F)F
InChIInChI=1S/C12H19F2N3O/c1-15-10-7-17(16-11(10)12(13)14)8-3-5-9(18-2)6-4-8/h7-9,12,15H,3-6H2,1-2H3
InChIKeyNNEALGIZBVHADO-UHFFFAOYSA-N
XLogP2.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine (CID 162349089) is 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine is CNc1cn(C2CCC(OC)CC2)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine?
The InChIKey is NNEALGIZBVHADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-15-10-7-17(16-11(10)12(13)14)8-3-5-9(18-2)6-4-8/h7-9,12,15H,3-6H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine?
3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine has a molecular weight of 259.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine is sourced from PubChem (CID 162349089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).