2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol

C12H18N4O2 — CID 114255634

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol
SMILESCOc1cc(C(O)Cc2cc(C)nn2C)nn1C
InChIInChI=1S/C12H18N4O2/c1-8-5-9(15(2)13-8)6-11(17)10-7-12(18-4)16(3)14-10/h5,7,11,17H,6H2,1-4H3
InChIKeyBLBTWXVINUWNJN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.75
Rot. Bonds4

About 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol

2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol (PubChem CID 114255634) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol
PubChem CID114255634
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol
SMILESCOc1cc(C(O)Cc2cc(C)nn2C)nn1C
InChIInChI=1S/C12H18N4O2/c1-8-5-9(15(2)13-8)6-11(17)10-7-12(18-4)16(3)14-10/h5,7,11,17H,6H2,1-4H3
InChIKeyBLBTWXVINUWNJN-UHFFFAOYSA-N
XLogP0.75
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol
CID 115811610
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756242
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
1-(4-bromo-2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811446
1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312547
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131633
1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811557
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 106693816

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol (CID 114255634) is 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol is COc1cc(C(O)Cc2cc(C)nn2C)nn1C.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol?
The InChIKey is BLBTWXVINUWNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-5-9(15(2)13-8)6-11(17)10-7-12(18-4)16(3)14-10/h5,7,11,17H,6H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol?
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol has a molecular weight of 250.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114255634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).