1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C13H20N4O — CID 103006766

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCCc1nn(C)cc1C(O)CCc1ccnn1C
InChIInChI=1S/C13H20N4O/c1-4-12-11(9-16(2)15-12)13(18)6-5-10-7-8-14-17(10)3/h7-9,13,18H,4-6H2,1-3H3
InChIKeyYMODITTUZRMEIM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.38
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103006766) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103006766
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCCc1nn(C)cc1C(O)CCc1ccnn1C
InChIInChI=1S/C13H20N4O/c1-4-12-11(9-16(2)15-12)13(18)6-5-10-7-8-14-17(10)3/h7-9,13,18H,4-6H2,1-3H3
InChIKeyYMODITTUZRMEIM-UHFFFAOYSA-N
XLogP1.38
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026081
1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027994
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol
CID 103006025
[1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026121
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990490
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103006766) is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is CCc1nn(C)cc1C(O)CCc1ccnn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is YMODITTUZRMEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-12-11(9-16(2)15-12)13(18)6-5-10-7-8-14-17(10)3/h7-9,13,18H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103006766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).