N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine

C12H19F2N3 — CID 165412148

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
SMILESCc1cc(CNC2CCC(F)(F)CC2)n(C)n1
InChIInChI=1S/C12H19F2N3/c1-9-7-11(17(2)16-9)8-15-10-3-5-12(13,14)6-4-10/h7,10,15H,3-6,8H2,1-2H3
InChIKeyVJWRZHCSGAGBHA-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.40
Rot. Bonds3

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine (PubChem CID 165412148) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
PubChem CID165412148
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
SMILESCc1cc(CNC2CCC(F)(F)CC2)n(C)n1
InChIInChI=1S/C12H19F2N3/c1-9-7-11(17(2)16-9)8-15-10-3-5-12(13,14)6-4-10/h7,10,15H,3-6,8H2,1-2H3
InChIKeyVJWRZHCSGAGBHA-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine (CID 165412148) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine is Cc1cc(CNC2CCC(F)(F)CC2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine?
The InChIKey is VJWRZHCSGAGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-9-7-11(17(2)16-9)8-15-10-3-5-12(13,14)6-4-10/h7,10,15H,3-6,8H2,1-2H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 165412148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).