1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol

C18H27N3O — CID 111118765

IUPAC1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C18H27N3O/c1-4-8-17(22)11-19-12-18-14(2)20-21(15(18)3)13-16-9-6-5-7-10-16/h5-7,9-10,17,19,22H,4,8,11-13H2,1-3H3
InChIKeyFOXRWQFGAHVICS-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.80
Rot. Bonds8

About 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol

1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol (PubChem CID 111118765) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
PubChem CID111118765
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C18H27N3O/c1-4-8-17(22)11-19-12-18-14(2)20-21(15(18)3)13-16-9-6-5-7-10-16/h5-7,9-10,17,19,22H,4,8,11-13H2,1-3H3
InChIKeyFOXRWQFGAHVICS-UHFFFAOYSA-N
XLogP2.80
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469187
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 78810000
4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 111469653
N-[[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730449
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
1-[(2,6-dimethylphenyl)methylamino]pentan-2-ol
CID 115897828
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 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol (CID 111118765) is 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol is CCCC(O)CNCc1c(C)nn(Cc2ccccc2)c1C.
What is the InChIKey of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol?
The InChIKey is FOXRWQFGAHVICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-8-17(22)11-19-12-18-14(2)20-21(15(18)3)13-16-9-6-5-7-10-16/h5-7,9-10,17,19,22H,4,8,11-13H2,1-3H3.
What are the key properties of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol?
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol has a molecular weight of 301.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 111118765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).