(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol

C12H16N2OS — CID 102829408

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1ccsc1C
InChIInChI=1S/C12H16N2OS/c1-4-11-10(7-14(3)13-11)12(15)9-5-6-16-8(9)2/h5-7,12,15H,4H2,1-3H3
InChIKeySSKBGYFVTDFGDV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.43
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol

(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol (PubChem CID 102829408) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol
PubChem CID102829408
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1ccsc1C
InChIInChI=1S/C12H16N2OS/c1-4-11-10(7-14(3)13-11)12(15)9-5-6-16-8(9)2/h5-7,12,15H,4H2,1-3H3
InChIKeySSKBGYFVTDFGDV-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102812622
(2-methylthiophen-3-yl)-(1-methyltriazol-4-yl)methanol
CID 130521768
(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
CID 164719582
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
[(3-ethyl-1-methylpyrazol-4-yl)-thiophen-2-ylmethyl]hydrazine
CID 102813003
3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114743713
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638084
2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990490
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115990545
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol (CID 102829408) is (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol is CCc1nn(C)cc1C(O)c1ccsc1C.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is SSKBGYFVTDFGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-11-10(7-14(3)13-11)12(15)9-5-6-16-8(9)2/h5-7,12,15H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol?
(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 236.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102829408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).