1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol

C16H24N4O — CID 111106392

IUPAC1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H24N4O/c1-19(2)13-16(21)10-17-8-15-9-18-20(12-15)11-14-6-4-3-5-7-14/h3-7,9,12,16-17,21H,8,10-11,13H2,1-2H3
InChIKeyOXSMSUJJQSZDFZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.94
Rot. Bonds8

About 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol

1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol (PubChem CID 111106392) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol
PubChem CID111106392
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H24N4O/c1-19(2)13-16(21)10-17-8-15-9-18-20(12-15)11-14-6-4-3-5-7-14/h3-7,9,12,16-17,21H,8,10-11,13H2,1-2H3
InChIKeyOXSMSUJJQSZDFZ-UHFFFAOYSA-N
XLogP0.94
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzylpyrazol-4-yl)methylamino]-1-(4-fluorophenyl)ethanol
CID 86776354
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
2-[(1-benzylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440398
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43392652
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743443
4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708206
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol (CID 111106392) is 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol is CN(C)CC(O)CNCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol?
The InChIKey is OXSMSUJJQSZDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19(2)13-16(21)10-17-8-15-9-18-20(12-15)11-14-6-4-3-5-7-14/h3-7,9,12,16-17,21H,8,10-11,13H2,1-2H3.
What are the key properties of 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol?
1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrazol-4-yl)methylamino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 111106392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).