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

C13H20N4O — CID 82871315

IUPAC1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(Cc2ccn(C)n2)c1C
InChIInChI=1S/C13H20N4O/c1-5-12(18)13-9(2)14-17(10(13)3)8-11-6-7-16(4)15-11/h6-7,12,18H,5,8H2,1-4H3
InChIKeyBODSYPAFCPBFRJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.73
Rot. Bonds4

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

1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol (PubChem CID 82871315) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
PubChem CID82871315
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(Cc2ccn(C)n2)c1C
InChIInChI=1S/C13H20N4O/c1-5-12(18)13-9(2)14-17(10(13)3)8-11-6-7-16(4)15-11/h6-7,12,18H,5,8H2,1-4H3
InChIKeyBODSYPAFCPBFRJ-UHFFFAOYSA-N
XLogP1.73
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol
CID 82871314
1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol
CID 64778119
1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 107309902
1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
CID 62730904
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol
CID 62732173
1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 114349039
1-[3,5-dimethyl-1-(2-phenylsulfanylethyl)pyrazol-4-yl]propan-1-ol
CID 79227689
1-[1-[(4-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 62730540
1-[1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 79709265
1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 64771590
3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde
CID 64785210
1-[3-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]ethanone
CID 130566886

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol (CID 82871315) is 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol is CCC(O)c1c(C)nn(Cc2ccn(C)n2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is BODSYPAFCPBFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-5-12(18)13-9(2)14-17(10(13)3)8-11-6-7-16(4)15-11/h6-7,12,18H,5,8H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol?
1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 82871315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).