3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol

C15H21N3O — CID 81412350

IUPAC3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H21N3O/c1-15(2,12-19)11-16-14-8-17-18(10-14)9-13-6-4-3-5-7-13/h3-8,10,16,19H,9,11-12H2,1-2H3
InChIKeyZWSCPTWWURTUNG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.36
Rot. Bonds6

About 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 81412350) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID81412350
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H21N3O/c1-15(2,12-19)11-16-14-8-17-18(10-14)9-13-6-4-3-5-7-13/h3-8,10,16,19H,9,11-12H2,1-2H3
InChIKeyZWSCPTWWURTUNG-UHFFFAOYSA-N
XLogP2.36
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 81411037
4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708206
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
1-benzyl-N-[(5-ethylfuran-2-yl)methyl]pyrazol-4-amine
CID 62345818
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 81412350) is 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is ZWSCPTWWURTUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,12-19)11-16-14-8-17-18(10-14)9-13-6-4-3-5-7-13/h3-8,10,16,19H,9,11-12H2,1-2H3.
What are the key properties of 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81412350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).