(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol

C12H16N2OS — CID 63901362

IUPAC(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(C)sc2C)cn1
InChIInChI=1S/C12H16N2OS/c1-4-14-7-10(6-13-14)12(15)11-5-8(2)16-9(11)3/h5-7,12,15H,4H2,1-3H3
InChIKeyKMJKBPMLVLEYHF-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.66
Rot. Bonds3

About (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol

(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 63901362) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID63901362
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cc(C)sc2C)cn1
InChIInChI=1S/C12H16N2OS/c1-4-14-7-10(6-13-14)12(15)11-5-8(2)16-9(11)3/h5-7,12,15H,4H2,1-3H3
InChIKeyKMJKBPMLVLEYHF-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol
CID 63901158
(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969581
(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969580
(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63895655
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
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(1-ethylpyrazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895454
(2,4-difluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63083868
(1-ethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105081796
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol
CID 61087975
(5-chlorofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
CID 106693588
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol (CID 63901362) is (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cc(C)sc2C)cn1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is KMJKBPMLVLEYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-14-7-10(6-13-14)12(15)11-5-8(2)16-9(11)3/h5-7,12,15H,4H2,1-3H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol?
(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 236.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 63901362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).