1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine

C10H15F2N3 — CID 171484628

IUPAC1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine
SMILESNc1ccn(CC2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H15F2N3/c11-10(12)4-1-8(2-5-10)7-15-6-3-9(13)14-15/h3,6,8H,1-2,4-5,7H2,(H2,13,14)
InChIKeyLGPMBZVPGZKIRH-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.29
Rot. Bonds2

About 1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine

1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine (PubChem CID 171484628) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine
PubChem CID171484628
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine
SMILESNc1ccn(CC2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H15F2N3/c11-10(12)4-1-8(2-5-10)7-15-6-3-9(13)14-15/h3,6,8H,1-2,4-5,7H2,(H2,13,14)
InChIKeyLGPMBZVPGZKIRH-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.29
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)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine (CID 171484628) is 1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine is Nc1ccn(CC2CCC(F)(F)CC2)n1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine?
The InChIKey is LGPMBZVPGZKIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c11-10(12)4-1-8(2-5-10)7-15-6-3-9(13)14-15/h3,6,8H,1-2,4-5,7H2,(H2,13,14).
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine?
1-[(4,4-difluorocyclohexyl)methyl]pyrazol-3-amine has a molecular weight of 215.25 g/mol, XLogP of 2.29, 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)methyl]pyrazol-3-amine is sourced from PubChem (CID 171484628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).