1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C15H20FN3O — CID 111457702

IUPAC1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1cc(F)ccc1CNCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C15H20FN3O/c1-11-6-14(16)5-4-12(11)7-17-10-15(2,20)13-8-18-19(3)9-13/h4-6,8-9,17,20H,7,10H2,1-3H3
InChIKeyNROKSTFCVUNSNB-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.86
Rot. Bonds5

About 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 111457702) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID111457702
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1cc(F)ccc1CNCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C15H20FN3O/c1-11-6-14(16)5-4-12(11)7-17-10-15(2,20)13-8-18-19(3)9-13/h4-6,8-9,17,20H,7,10H2,1-3H3
InChIKeyNROKSTFCVUNSNB-UHFFFAOYSA-N
XLogP1.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99626808
1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111467294
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836
1-[[3-(2-methylphenyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457630
1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457624
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
2-chloro-5-fluoro-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzenesulfonamide
CID 97239456
1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111969444
1-(dimethylamino)-3-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 103839019
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
1-(2-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458897

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 111457702) is 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cc1cc(F)ccc1CNCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is NROKSTFCVUNSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11-6-14(16)5-4-12(11)7-17-10-15(2,20)13-8-18-19(3)9-13/h4-6,8-9,17,20H,7,10H2,1-3H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 277.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 111457702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).