(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol

C13H17N3O2 — CID 105130169

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cncc(C)c1
InChIInChI=1S/C13H17N3O2/c1-4-16-12(11(18-3)8-15-16)13(17)10-5-9(2)6-14-7-10/h5-8,13,17H,4H2,1-3H3
InChIKeyOEMDOMMZGGCLSK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.70
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol

(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 105130169) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
PubChem CID105130169
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCCn1ncc(OC)c1C(O)c1cncc(C)c1
InChIInChI=1S/C13H17N3O2/c1-4-16-12(11(18-3)8-15-16)13(17)10-5-9(2)6-14-7-10/h5-8,13,17H,4H2,1-3H3
InChIKeyOEMDOMMZGGCLSK-UHFFFAOYSA-N
XLogP1.70
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(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
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572559
(2-chloro-4-methylphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 106859558
2-(3,5-dimethylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114643392
2,3-dihydro-1H-inden-5-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837075
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
(1-ethyl-4-methoxypyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115837076
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)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol (CID 105130169) is (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol is CCn1ncc(OC)c1C(O)c1cncc(C)c1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is OEMDOMMZGGCLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-16-12(11(18-3)8-15-16)13(17)10-5-9(2)6-14-7-10/h5-8,13,17H,4H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol?
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 247.30 g/mol, XLogP of 1.70, 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)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 105130169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).