(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol

C11H16N4O — CID 105080944

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCCc1cc(C(O)c2cnn(C)c2)n(C)n1
InChIInChI=1S/C11H16N4O/c1-4-9-5-10(15(3)13-9)11(16)8-6-12-14(2)7-8/h5-7,11,16H,4H2,1-3H3
InChIKeyXFJWRTGOOLWUIM-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.80
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol

(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 105080944) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
PubChem CID105080944
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCCc1cc(C(O)c2cnn(C)c2)n(C)n1
InChIInChI=1S/C11H16N4O/c1-4-9-5-10(15(3)13-9)11(16)8-6-12-14(2)7-8/h5-7,11,16H,4H2,1-3H3
InChIKeyXFJWRTGOOLWUIM-UHFFFAOYSA-N
XLogP0.80
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539
(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methanol
CID 66116496
(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127642
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanol
CID 105098896
[1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025805
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023801
(3-ethyl-1-methylpyrazol-5-yl)-(5-methylthiophen-2-yl)methanol
CID 105109320
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanol
CID 105113003
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127910

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol (CID 105080944) is (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol is CCc1cc(C(O)c2cnn(C)c2)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is XFJWRTGOOLWUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-9-5-10(15(3)13-9)11(16)8-6-12-14(2)7-8/h5-7,11,16H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol?
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 220.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 105080944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).