1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine

C13H15FN4 — CID 141401687

IUPAC1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine
SMILESNc1cnn(C(c2ccccc2)C2(F)CNC2)c1
InChIInChI=1S/C13H15FN4/c14-13(8-16-9-13)12(10-4-2-1-3-5-10)18-7-11(15)6-17-18/h1-7,12,16H,8-9,15H2
InChIKeyYBIQRZAWSCKCQQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.37
Rot. Bonds3

About 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine

1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine (PubChem CID 141401687) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine
PubChem CID141401687
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine
SMILESNc1cnn(C(c2ccccc2)C2(F)CNC2)c1
InChIInChI=1S/C13H15FN4/c14-13(8-16-9-13)12(10-4-2-1-3-5-10)18-7-11(15)6-17-18/h1-7,12,16H,8-9,15H2
InChIKeyYBIQRZAWSCKCQQ-UHFFFAOYSA-N
XLogP1.37
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
Pyrazole, 1-benzyl-4-(methylamino)-
CID 206698
N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539927
1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 57416965
1-((3-fluorophenyl)methyl)-1H-pyrazol-4-amine hydrochloride
CID 44630919
1-Methyl-N-(2-phenylethyl)-1H-pyrazole-3-methanamine
CID 7017351
(3-((1H-Pyrazol-1-yl)methyl)phenyl)methanamine
CID 16640564

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine?
The IUPAC name of 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine (CID 141401687) is 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine is Nc1cnn(C(c2ccccc2)C2(F)CNC2)c1.
What is the InChIKey of 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine?
The InChIKey is YBIQRZAWSCKCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-13(8-16-9-13)12(10-4-2-1-3-5-10)18-7-11(15)6-17-18/h1-7,12,16H,8-9,15H2.
What are the key properties of 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine?
1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine has a molecular weight of 246.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoroazetidin-3-yl)-phenylmethyl]pyrazol-4-amine is sourced from PubChem (CID 141401687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).