3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol

C15H20ClN3O — CID 64809031

IUPAC3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(Cn1cc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H20ClN3O/c1-2-8-17-15(12-20,13-6-4-3-5-7-13)11-19-10-14(16)9-18-19/h3-7,9-10,17,20H,2,8,11-12H2,1H3
InChIKeySCFOZLQUDYNWBA-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.42
Rot. Bonds7

About 3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol

3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol (PubChem CID 64809031) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
PubChem CID64809031
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(Cn1cc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H20ClN3O/c1-2-8-17-15(12-20,13-6-4-3-5-7-13)11-19-10-14(16)9-18-19/h3-7,9-10,17,20H,2,8,11-12H2,1H3
InChIKeySCFOZLQUDYNWBA-UHFFFAOYSA-N
XLogP2.42
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 64811329
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64819677
5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64811965
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
CID 64791689
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-2-(propylamino)propan-1-ol
CID 64805973
3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64809068
3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
4-(2-methylpropylsulfanyl)-2-phenyl-2-(propylamino)butan-1-ol
CID 116696144
3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol
CID 64811643
3-(3,3-dimethylbutoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 66227107
N-[1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 116790465

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol (CID 64809031) is 3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol is CCCNC(CO)(Cn1cc(Cl)cn1)c1ccccc1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol?
The InChIKey is SCFOZLQUDYNWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-2-8-17-15(12-20,13-6-4-3-5-7-13)11-19-10-14(16)9-18-19/h3-7,9-10,17,20H,2,8,11-12H2,1H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol?
3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol has a molecular weight of 293.80 g/mol, XLogP of 2.42, 7 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-phenyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64809031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).