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

C13H16FN3O — CID 86781812

IUPAC(2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
SMILESC[C@@H](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/t10-/m1/s1
InChIKeyMKNIHKDVOBIUSF-SNVBAGLBSA-N
MW249.29 g/mol
LogP1.48
Rot. Bonds5

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

(2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol (PubChem CID 86781812) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
PubChem CID86781812
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
SMILESC[C@@H](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/t10-/m1/s1
InChIKeyMKNIHKDVOBIUSF-SNVBAGLBSA-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

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

methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
(1-phenyl-1H-pyrazol-4-yl)methanol
CID 822983
2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6484139
3-({[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propan-1-ol
CID 16192174
2,2,2-trifluoro-1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-ol
CID 54978509
(1S)-1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-ol
CID 71756185
(1-phenyl-1H-pyrazol-4-yl)methanamine
CID 4327684
4-(4-methyl-1H-pyrazol-1-yl)aniline
CID 19626850
2-{4-[({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]-1-piperidinyl}ethanol
CID 42210143
3-fluoro-4-(4-methyl-1H-pyrazol-1-yl)aniline
CID 19627200
methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine hydrochloride
CID 50944354
1-[[4-(Trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809228

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol (CID 86781812) is (2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol is C[C@@H](O)CNCc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of (2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol?
The InChIKey is MKNIHKDVOBIUSF-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol?
(2R)-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 (2R)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 86781812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).