3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol

C16H23N3O2 — CID 114608533

IUPAC3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol
SMILESCC(C)n1cc(OCC(O)C(N)Cc2ccccc2)cn1
InChIInChI=1S/C16H23N3O2/c1-12(2)19-10-14(9-18-19)21-11-16(20)15(17)8-13-6-4-3-5-7-13/h3-7,9-10,12,15-16,20H,8,11,17H2,1-2H3
InChIKeyMTCQWYVOEPXPJM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.77
Rot. Bonds7

About 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol

3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol (PubChem CID 114608533) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol.

Molecular Properties

Compound Name3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol
PubChem CID114608533
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol
SMILESCC(C)n1cc(OCC(O)C(N)Cc2ccccc2)cn1
InChIInChI=1S/C16H23N3O2/c1-12(2)19-10-14(9-18-19)21-11-16(20)15(17)8-13-6-4-3-5-7-13/h3-7,9-10,12,15-16,20H,8,11,17H2,1-2H3
InChIKeyMTCQWYVOEPXPJM-UHFFFAOYSA-N
XLogP1.77
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
2-chloro-3-(1-propan-2-ylpyrazol-4-yl)oxypropanoic acid
CID 116804052
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine
CID 114608538
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
2-bromo-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]aniline
CID 116803954
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804290
1-(4-phenoxypyrazol-1-yl)ethanamine
CID 117125159
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 104922922
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol?
The IUPAC name of 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol (CID 114608533) is 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol.
What is the SMILES notation for 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol?
The canonical SMILES for 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol is CC(C)n1cc(OCC(O)C(N)Cc2ccccc2)cn1.
What is the InChIKey of 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol?
The InChIKey is MTCQWYVOEPXPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)19-10-14(9-18-19)21-11-16(20)15(17)8-13-6-4-3-5-7-13/h3-7,9-10,12,15-16,20H,8,11,17H2,1-2H3.
What are the key properties of 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol?
3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-1-(1-propan-2-ylpyrazol-4-yl)oxybutan-2-ol is sourced from PubChem (CID 114608533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).