(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol

C12H15N3O2 — CID 114634373

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
SMILESCCn1ncc(OC)c1C(O)c1ccncc1
InChIInChI=1S/C12H15N3O2/c1-3-15-11(10(17-2)8-14-15)12(16)9-4-6-13-7-5-9/h4-8,12,16H,3H2,1-2H3
InChIKeyKHAGLGDOFFTTMZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.39
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol

(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol (PubChem CID 114634373) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
PubChem CID114634373
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
SMILESCCn1ncc(OC)c1C(O)c1ccncc1
InChIInChI=1S/C12H15N3O2/c1-3-15-11(10(17-2)8-14-15)12(16)9-4-6-13-7-5-9/h4-8,12,16H,3H2,1-2H3
InChIKeyKHAGLGDOFFTTMZ-UHFFFAOYSA-N
XLogP1.39
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572559
(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114644895
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
2,3-dihydro-1H-inden-5-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837075
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837106
4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
CID 114637571
3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637583

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol (CID 114634373) is (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol is CCn1ncc(OC)c1C(O)c1ccncc1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol?
The InChIKey is KHAGLGDOFFTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-15-11(10(17-2)8-14-15)12(16)9-4-6-13-7-5-9/h4-8,12,16H,3H2,1-2H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol?
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol has a molecular weight of 233.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol is sourced from PubChem (CID 114634373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).