3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol

C19H29N3O — CID 111469187

IUPAC3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(CCO)C(C)C
InChIInChI=1S/C19H29N3O/c1-14(2)19(10-11-23)20-12-18-15(3)21-22(16(18)4)13-17-8-6-5-7-9-17/h5-9,14,19-20,23H,10-13H2,1-4H3
InChIKeyVWXUKOWRIZMXPS-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.04
Rot. Bonds8

About 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol

3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol (PubChem CID 111469187) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
PubChem CID111469187
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(CCO)C(C)C
InChIInChI=1S/C19H29N3O/c1-14(2)19(10-11-23)20-12-18-15(3)21-22(16(18)4)13-17-8-6-5-7-9-17/h5-9,14,19-20,23H,10-13H2,1-4H3
InChIKeyVWXUKOWRIZMXPS-UHFFFAOYSA-N
XLogP3.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 27655607
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
(1R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 27655528
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine
CID 75513137
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118765
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
(1S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 27655015
4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 111469653
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 17448543
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,3-dimethylguanidine
CID 110914086

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol (CID 111469187) is 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol is Cc1nn(Cc2ccccc2)c(C)c1CNC(CCO)C(C)C.
What is the InChIKey of 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
The InChIKey is VWXUKOWRIZMXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(2)19(10-11-23)20-12-18-15(3)21-22(16(18)4)13-17-8-6-5-7-9-17/h5-9,14,19-20,23H,10-13H2,1-4H3.
What are the key properties of 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol has a molecular weight of 315.46 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 111469187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).