1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine

C15H18F2N4 — CID 90036924

IUPAC1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine
SMILESNc1cnn(C(CCN2CC(F)(F)C2)c2ccccc2)c1
InChIInChI=1S/C15H18F2N4/c16-15(17)10-20(11-15)7-6-14(12-4-2-1-3-5-12)21-9-13(18)8-19-21/h1-5,8-9,14H,6-7,10-11,18H2
InChIKeyCBMFFMAGMSIZTJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.40
Rot. Bonds5

About 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine

1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine (PubChem CID 90036924) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine
PubChem CID90036924
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine
SMILESNc1cnn(C(CCN2CC(F)(F)C2)c2ccccc2)c1
InChIInChI=1S/C15H18F2N4/c16-15(17)10-20(11-15)7-6-14(12-4-2-1-3-5-12)21-9-13(18)8-19-21/h1-5,8-9,14H,6-7,10-11,18H2
InChIKeyCBMFFMAGMSIZTJ-UHFFFAOYSA-N
XLogP2.40
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-benzyl-1H-pyrazol-4-amine
CID 206694
2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)aniline
CID 7064033
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
Pyrazole, 1-benzyl-4-(methylamino)-
CID 206698
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
US10513493, Example 17
CID 118290486
US9994546, Example 98
CID 118297939
Pyrazole, 1-benzyl-4-(dimethylamino)-
CID 206687

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine?
The IUPAC name of 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine (CID 90036924) is 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine.
What is the SMILES notation for 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine?
The canonical SMILES for 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine is Nc1cnn(C(CCN2CC(F)(F)C2)c2ccccc2)c1.
What is the InChIKey of 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine?
The InChIKey is CBMFFMAGMSIZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c16-15(17)10-20(11-15)7-6-14(12-4-2-1-3-5-12)21-9-13(18)8-19-21/h1-5,8-9,14H,6-7,10-11,18H2.
What are the key properties of 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine?
1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine has a molecular weight of 292.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-difluoroazetidin-1-yl)-1-phenylpropyl]pyrazol-4-amine is sourced from PubChem (CID 90036924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).