(5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol

C11H13ClN2OS — CID 63976750

IUPAC(5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS/c1-2-7-14-8(5-6-13-14)11(15)9-3-4-10(12)16-9/h3-6,11,15H,2,7H2,1H3
InChIKeyKRPHITOQTDEOAB-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.09
Rot. Bonds4

About (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol

(5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 63976750) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID63976750
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name(5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS/c1-2-7-14-8(5-6-13-14)11(15)9-3-4-10(12)16-9/h3-6,11,15H,2,7H2,1H3
InChIKeyKRPHITOQTDEOAB-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (CID 63976750) is (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is KRPHITOQTDEOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-2-7-14-8(5-6-13-14)11(15)9-3-4-10(12)16-9/h3-6,11,15H,2,7H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
(5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 256.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 63976750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).