2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

C14H16F3N3O — CID 64809884

IUPAC2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCNC(CO)(Cn1ccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C14H16F3N3O/c1-18-13(10-21,11-5-3-2-4-6-11)9-20-8-7-12(19-20)14(15,16)17/h2-8,18,21H,9-10H2,1H3
InChIKeyGORLENYOSDGRPN-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.01
Rot. Bonds5

About 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 64809884) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID64809884
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCNC(CO)(Cn1ccc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C14H16F3N3O/c1-18-13(10-21,11-5-3-2-4-6-11)9-20-8-7-12(19-20)14(15,16)17/h2-8,18,21H,9-10H2,1H3
InChIKeyGORLENYOSDGRPN-UHFFFAOYSA-N
XLogP2.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 64809884) is 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is CNC(CO)(Cn1ccc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is GORLENYOSDGRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-18-13(10-21,11-5-3-2-4-6-11)9-20-8-7-12(19-20)14(15,16)17/h2-8,18,21H,9-10H2,1H3.
What are the key properties of 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 299.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 64809884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).