(1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol

C12H16N2OS — CID 115779049

IUPAC(1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1cnn(CC)c1
InChIInChI=1S/C12H16N2OS/c1-3-9-5-6-16-12(9)11(15)10-7-13-14(4-2)8-10/h5-8,11,15H,3-4H2,1-2H3
InChIKeyUTCHPILPQILJIP-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.61
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol

(1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol (PubChem CID 115779049) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol
PubChem CID115779049
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1cnn(CC)c1
InChIInChI=1S/C12H16N2OS/c1-3-9-5-6-16-12(9)11(15)10-7-13-14(4-2)8-10/h5-8,11,15H,3-4H2,1-2H3
InChIKeyUTCHPILPQILJIP-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol?
The IUPAC name of (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol (CID 115779049) is (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol is CCc1ccsc1C(O)c1cnn(CC)c1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol?
The InChIKey is UTCHPILPQILJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-9-5-6-16-12(9)11(15)10-7-13-14(4-2)8-10/h5-8,11,15H,3-4H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol?
(1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol has a molecular weight of 236.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 115779049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).