1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol

C13H16FN3O — CID 110931852

IUPAC1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H16FN3O/c1-10(18)6-15-7-11-8-16-17(9-11)13-4-2-12(14)3-5-13/h2-5,8-10,15,18H,6-7H2,1H3
InChIKeyMKNIHKDVOBIUSF-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.48
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol

1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol (PubChem CID 110931852) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
PubChem CID110931852
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H16FN3O/c1-10(18)6-15-7-11-8-16-17(9-11)13-4-2-12(14)3-5-13/h2-5,8-10,15,18H,6-7H2,1H3
InChIKeyMKNIHKDVOBIUSF-UHFFFAOYSA-N
XLogP1.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
CID 110931861
4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
CID 103631647
4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 111469646
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol
CID 111440130
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
CID 60958392
2,2-dimethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 60668857
2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol
CID 111977150
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156584726
1-[2-[(4-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294524
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 55024110

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol (CID 110931852) is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol is CC(O)CNCc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol?
The InChIKey is MKNIHKDVOBIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-10(18)6-15-7-11-8-16-17(9-11)13-4-2-12(14)3-5-13/h2-5,8-10,15,18H,6-7H2,1H3.
What are the key properties of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol?
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol has a molecular weight of 249.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 110931852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).