3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol

C17H25N3O — CID 110903453

IUPAC3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol
SMILESCc1ccccc1-n1nc(C)c(CN(C)CCCO)c1C
InChIInChI=1S/C17H25N3O/c1-13-8-5-6-9-17(13)20-15(3)16(14(2)18-20)12-19(4)10-7-11-21/h5-6,8-9,21H,7,10-12H2,1-4H3
InChIKeyJKWHDGZUGDQCJN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.61
Rot. Bonds6

About 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol

3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol (PubChem CID 110903453) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol
PubChem CID110903453
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol
SMILESCc1ccccc1-n1nc(C)c(CN(C)CCCO)c1C
InChIInChI=1S/C17H25N3O/c1-13-8-5-6-9-17(13)20-15(3)16(14(2)18-20)12-19(4)10-7-11-21/h5-6,8-9,21H,7,10-12H2,1-4H3
InChIKeyJKWHDGZUGDQCJN-UHFFFAOYSA-N
XLogP2.61
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol (CID 110903453) is 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol is Cc1ccccc1-n1nc(C)c(CN(C)CCCO)c1C.
What is the InChIKey of 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol?
The InChIKey is JKWHDGZUGDQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-8-5-6-9-17(13)20-15(3)16(14(2)18-20)12-19(4)10-7-11-21/h5-6,8-9,21H,7,10-12H2,1-4H3.
What are the key properties of 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol?
3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 110903453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).