1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine

C15H19FN4 — CID 90037978

IUPAC1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine
SMILESNc1cnn(C(c2ccccc2)C2CN(CCF)C2)c1
InChIInChI=1S/C15H19FN4/c16-6-7-19-9-13(10-19)15(12-4-2-1-3-5-12)20-11-14(17)8-18-20/h1-5,8,11,13,15H,6-7,9-10,17H2
InChIKeyHDEHILFYBCXGJF-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.96
Rot. Bonds5

About 1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine

1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine (PubChem CID 90037978) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine
PubChem CID90037978
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine
SMILESNc1cnn(C(c2ccccc2)C2CN(CCF)C2)c1
InChIInChI=1S/C15H19FN4/c16-6-7-19-9-13(10-19)15(12-4-2-1-3-5-12)20-11-14(17)8-18-20/h1-5,8,11,13,15H,6-7,9-10,17H2
InChIKeyHDEHILFYBCXGJF-UHFFFAOYSA-N
XLogP1.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.96
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
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
US11274091, Example 8
CID 146240925
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-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine?
The IUPAC name of 1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine (CID 90037978) is 1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine?
The canonical SMILES for 1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine is Nc1cnn(C(c2ccccc2)C2CN(CCF)C2)c1.
What is the InChIKey of 1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine?
The InChIKey is HDEHILFYBCXGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c16-6-7-19-9-13(10-19)15(12-4-2-1-3-5-12)20-11-14(17)8-18-20/h1-5,8,11,13,15H,6-7,9-10,17H2.
What are the key properties of 1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine?
1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine has a molecular weight of 274.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluoroethyl)azetidin-3-yl]-phenylmethyl]pyrazol-4-amine is sourced from PubChem (CID 90037978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).