N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine

C12H18F3N3 — CID 64798968

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)6-7-16-9-10-5-8-18(17-10)11-3-1-2-4-11/h5,8,11,16H,1-4,6-7,9H2
InChIKeyWNMBGJNHSPSVDX-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.04
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 64798968) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID64798968
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)6-7-16-9-10-5-8-18(17-10)11-3-1-2-4-11/h5,8,11,16H,1-4,6-7,9H2
InChIKeyWNMBGJNHSPSVDX-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-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-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 64798968) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCc1ccn(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is WNMBGJNHSPSVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)6-7-16-9-10-5-8-18(17-10)11-3-1-2-4-11/h5,8,11,16H,1-4,6-7,9H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 64798968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).