(1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol

C10H12N2OS — CID 83091950

IUPAC(1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol
SMILESCc1nn(C)cc1C(O)c1ccsc1
InChIInChI=1S/C10H12N2OS/c1-7-9(5-12(2)11-7)10(13)8-3-4-14-6-8/h3-6,10,13H,1-2H3
InChIKeyPCRPWBSOLDOSCG-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.87
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol

(1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol (PubChem CID 83091950) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol
PubChem CID83091950
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol
SMILESCc1nn(C)cc1C(O)c1ccsc1
InChIInChI=1S/C10H12N2OS/c1-7-9(5-12(2)11-7)10(13)8-3-4-14-6-8/h3-6,10,13H,1-2H3
InChIKeyPCRPWBSOLDOSCG-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol (CID 83091950) is (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol is Cc1nn(C)cc1C(O)c1ccsc1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol?
The InChIKey is PCRPWBSOLDOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-9(5-12(2)11-7)10(13)8-3-4-14-6-8/h3-6,10,13H,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol?
(1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol has a molecular weight of 208.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 83091950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).