1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol

C16H23N3O — CID 110012165

IUPAC1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
SMILESCC(CCn1cccn1)NCC(O)Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-14(8-11-19-10-5-9-18-19)17-13-16(20)12-15-6-3-2-4-7-15/h2-7,9-10,14,16-17,20H,8,11-13H2,1H3
InChIKeyCRWXFDIGLJBLOI-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.85
Rot. Bonds8

About 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol

1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol (PubChem CID 110012165) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
PubChem CID110012165
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
SMILESCC(CCn1cccn1)NCC(O)Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-14(8-11-19-10-5-9-18-19)17-13-16(20)12-15-6-3-2-4-7-15/h2-7,9-10,14,16-17,20H,8,11-13H2,1H3
InChIKeyCRWXFDIGLJBLOI-UHFFFAOYSA-N
XLogP1.85
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
1-(pentan-2-ylamino)-3-phenylpropan-2-ol
CID 110884310
(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol
CID 97231624
1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol
CID 110012191
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 115977842
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol (CID 110012165) is 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol is CC(CCn1cccn1)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol?
The InChIKey is CRWXFDIGLJBLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-14(8-11-19-10-5-9-18-19)17-13-16(20)12-15-6-3-2-4-7-15/h2-7,9-10,14,16-17,20H,8,11-13H2,1H3.
What are the key properties of 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol?
1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 110012165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).