(2-propylpyrazol-3-yl)-thiophen-3-ylmethanol

C11H14N2OS — CID 63975474

IUPAC(2-propylpyrazol-3-yl)-thiophen-3-ylmethanol
SMILESCCCn1nccc1C(O)c1ccsc1
InChIInChI=1S/C11H14N2OS/c1-2-6-13-10(3-5-12-13)11(14)9-4-7-15-8-9/h3-5,7-8,11,14H,2,6H2,1H3
InChIKeyLAQRBSLDVRNQOS-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.44
Rot. Bonds4

About (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol

(2-propylpyrazol-3-yl)-thiophen-3-ylmethanol (PubChem CID 63975474) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-thiophen-3-ylmethanol
PubChem CID63975474
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(2-propylpyrazol-3-yl)-thiophen-3-ylmethanol
SMILESCCCn1nccc1C(O)c1ccsc1
InChIInChI=1S/C11H14N2OS/c1-2-6-13-10(3-5-12-13)11(14)9-4-7-15-8-9/h3-5,7-8,11,14H,2,6H2,1H3
InChIKeyLAQRBSLDVRNQOS-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol?
The IUPAC name of (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol (CID 63975474) is (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol is CCCn1nccc1C(O)c1ccsc1.
What is the InChIKey of (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol?
The InChIKey is LAQRBSLDVRNQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-6-13-10(3-5-12-13)11(14)9-4-7-15-8-9/h3-5,7-8,11,14H,2,6H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol?
(2-propylpyrazol-3-yl)-thiophen-3-ylmethanol has a molecular weight of 222.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 63975474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).