4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol

C17H25N3O — CID 103708206

IUPAC4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H25N3O/c1-17(2,8-9-21)14-18-10-16-11-19-20(13-16)12-15-6-4-3-5-7-15/h3-7,11,13,18,21H,8-10,12,14H2,1-2H3
InChIKeyMVDJARJOFPCZRG-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.43
Rot. Bonds8

About 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol

4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol (PubChem CID 103708206) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
PubChem CID103708206
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H25N3O/c1-17(2,8-9-21)14-18-10-16-11-19-20(13-16)12-15-6-4-3-5-7-15/h3-7,11,13,18,21H,8-10,12,14H2,1-2H3
InChIKeyMVDJARJOFPCZRG-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-dimethylpropanenitrile
CID 104587257
2-[[(1-benzylpyrazol-4-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129185
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79037268
3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
CID 111470754
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol (CID 103708206) is 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol?
The InChIKey is MVDJARJOFPCZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,8-9-21)14-18-10-16-11-19-20(13-16)12-15-6-4-3-5-7-15/h3-7,11,13,18,21H,8-10,12,14H2,1-2H3.
What are the key properties of 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol?
4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103708206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).