3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol

C13H16ClN3O — CID 64811329

IUPAC3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(Cn1cc(Cl)cn1)c1ccccc1
InChIInChI=1S/C13H16ClN3O/c1-15-13(10-18,11-5-3-2-4-6-11)9-17-8-12(14)7-16-17/h2-8,15,18H,9-10H2,1H3
InChIKeyGYFLARRJMHLJPE-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.64
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol

3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64811329) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64811329
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(Cn1cc(Cl)cn1)c1ccccc1
InChIInChI=1S/C13H16ClN3O/c1-15-13(10-18,11-5-3-2-4-6-11)9-17-8-12(14)7-16-17/h2-8,15,18H,9-10H2,1H3
InChIKeyGYFLARRJMHLJPE-UHFFFAOYSA-N
XLogP1.64
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol (CID 64811329) is 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(Cn1cc(Cl)cn1)c1ccccc1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is GYFLARRJMHLJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-15-13(10-18,11-5-3-2-4-6-11)9-17-8-12(14)7-16-17/h2-8,15,18H,9-10H2,1H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 265.74 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64811329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).