3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

C14H16FN3 — CID 54897195

IUPAC3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3cn[nH]c3)C2)cc1
InChIInChI=1S/C14H16FN3/c15-13-3-1-11(2-4-13)12-5-14(6-12)16-7-10-8-17-18-9-10/h1-4,8-9,12,14,16H,5-7H2,(H,17,18)
InChIKeyLHNWYPODDFUWGT-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.58
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine

3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 54897195) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID54897195
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3cn[nH]c3)C2)cc1
InChIInChI=1S/C14H16FN3/c15-13-3-1-11(2-4-13)12-5-14(6-12)16-7-10-8-17-18-9-10/h1-4,8-9,12,14,16H,5-7H2,(H,17,18)
InChIKeyLHNWYPODDFUWGT-UHFFFAOYSA-N
XLogP2.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-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 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine (CID 54897195) is 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is Fc1ccc(C2CC(NCc3cn[nH]c3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is LHNWYPODDFUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-13-3-1-11(2-4-13)12-5-14(6-12)16-7-10-8-17-18-9-10/h1-4,8-9,12,14,16H,5-7H2,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine?
3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 245.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 54897195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).