2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol

C13H17N3O — CID 82538414

IUPAC2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
SMILESCC(C)(CO)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H17N3O/c1-13(2,10-17)15-11-8-14-16(9-11)12-6-4-3-5-7-12/h3-9,15,17H,10H2,1-2H3
InChIKeyUIHOCKFFFNBBFI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol

2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol (PubChem CID 82538414) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
PubChem CID82538414
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
SMILESCC(C)(CO)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H17N3O/c1-13(2,10-17)15-11-8-14-16(9-11)12-6-4-3-5-7-12/h3-9,15,17H,10H2,1-2H3
InChIKeyUIHOCKFFFNBBFI-UHFFFAOYSA-N
XLogP2.06
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
CID 82539547
1-phenyl-N-(2-phenylethyl)pyrazol-4-amine
CID 82539254
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea
CID 111458969
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
CID 126840528
1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine
CID 82539438
2-(1,5-dimethylpyrazol-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 146125663
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol (CID 82538414) is 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol is CC(C)(CO)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol?
The InChIKey is UIHOCKFFFNBBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,10-17)15-11-8-14-16(9-11)12-6-4-3-5-7-12/h3-9,15,17H,10H2,1-2H3.
What are the key properties of 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol?
2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol is sourced from PubChem (CID 82538414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).