(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol

C12H16N2O3S — CID 115837106

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1sccc1OC
InChIInChI=1S/C12H16N2O3S/c1-4-14-10(9(17-3)7-13-14)11(15)12-8(16-2)5-6-18-12/h5-7,11,15H,4H2,1-3H3
InChIKeyPJUKMMYBAZCUDR-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.06
Rot. Bonds5

About (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol

(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol (PubChem CID 115837106) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
PubChem CID115837106
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
SMILESCCn1ncc(OC)c1C(O)c1sccc1OC
InChIInChI=1S/C12H16N2O3S/c1-4-14-10(9(17-3)7-13-14)11(15)12-8(16-2)5-6-18-12/h5-7,11,15H,4H2,1-3H3
InChIKeyPJUKMMYBAZCUDR-UHFFFAOYSA-N
XLogP2.06
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105040106
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798642
[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339439
[(3-chlorothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339350
1-benzothiophen-3-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635146
[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105336263
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol (CID 115837106) is (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol is CCn1ncc(OC)c1C(O)c1sccc1OC.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol?
The InChIKey is PJUKMMYBAZCUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-4-14-10(9(17-3)7-13-14)11(15)12-8(16-2)5-6-18-12/h5-7,11,15H,4H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol?
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol has a molecular weight of 268.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 115837106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).