(1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol

C12H18N4O — CID 105081866

IUPAC(1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2c(C)nn(C)c2C)cn1
InChIInChI=1S/C12H18N4O/c1-5-16-7-10(6-13-16)12(17)11-8(2)14-15(4)9(11)3/h6-7,12,17H,5H2,1-4H3
InChIKeyNGVATJPFMNCUPB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.34
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol

(1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol (PubChem CID 105081866) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol
PubChem CID105081866
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2c(C)nn(C)c2C)cn1
InChIInChI=1S/C12H18N4O/c1-5-16-7-10(6-13-16)12(17)11-8(2)14-15(4)9(11)3/h6-7,12,17H,5H2,1-4H3
InChIKeyNGVATJPFMNCUPB-UHFFFAOYSA-N
XLogP1.34
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The IUPAC name of (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol (CID 105081866) is (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2c(C)nn(C)c2C)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The InChIKey is NGVATJPFMNCUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-5-16-7-10(6-13-16)12(17)11-8(2)14-15(4)9(11)3/h6-7,12,17H,5H2,1-4H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
(1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol has a molecular weight of 234.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 105081866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).