1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine

C10H15F2N3 — CID 90103962

IUPAC1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N3/c1-7-9(13)6-14-15(7)8-2-4-10(11,12)5-3-8/h6,8H,2-5,13H2,1H3
InChIKeyRMMXYZYWNURDRM-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.52
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine

1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine (PubChem CID 90103962) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine
PubChem CID90103962
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N3/c1-7-9(13)6-14-15(7)8-2-4-10(11,12)5-3-8/h6,8H,2-5,13H2,1H3
InChIKeyRMMXYZYWNURDRM-UHFFFAOYSA-N
XLogP2.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine (CID 90103962) is 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine is Cc1c(N)cnn1C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine?
The InChIKey is RMMXYZYWNURDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-7-9(13)6-14-15(7)8-2-4-10(11,12)5-3-8/h6,8H,2-5,13H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine?
1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine has a molecular weight of 215.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-5-methylpyrazol-4-amine is sourced from PubChem (CID 90103962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).