1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol

C16H23N3O — CID 60501287

IUPAC1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCC(C)N(Cc1ccccc1)CC(O)Cn1cccn1
InChIInChI=1S/C16H23N3O/c1-14(2)18(11-15-7-4-3-5-8-15)12-16(20)13-19-10-6-9-17-19/h3-10,14,16,20H,11-13H2,1-2H3
InChIKeySXJREQSDNAFEGA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.15
Rot. Bonds7

About 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol

1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60501287) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID60501287
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCC(C)N(Cc1ccccc1)CC(O)Cn1cccn1
InChIInChI=1S/C16H23N3O/c1-14(2)18(11-15-7-4-3-5-8-15)12-16(20)13-19-10-6-9-17-19/h3-10,14,16,20H,11-13H2,1-2H3
InChIKeySXJREQSDNAFEGA-UHFFFAOYSA-N
XLogP2.15
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 64974574
(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 94032264
(2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 95274456
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426746
(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
CID 130522033
3-methyl-4-pyrazol-1-ylbutan-2-ol
CID 142163216
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
(2S)-1-[(3-methylphenyl)methylsulfonyl]-3-pyrazol-1-ylpropan-2-ol
CID 95141755
(2S)-1-[(3-methylphenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
CID 93162276

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 60501287) is 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol is CC(C)N(Cc1ccccc1)CC(O)Cn1cccn1.
What is the InChIKey of 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is SXJREQSDNAFEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-14(2)18(11-15-7-4-3-5-8-15)12-16(20)13-19-10-6-9-17-19/h3-10,14,16,20H,11-13H2,1-2H3.
What are the key properties of 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60501287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).