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

C14H11ClN2OS — CID 107329866

IUPAC(5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccc(Cl)s1)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H11ClN2OS/c15-13-7-6-12(19-13)14(18)11-8-9-16-17(11)10-4-2-1-3-5-10/h1-9,14,18H
InChIKeyLYGPNCZBQZDWHI-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.67
Rot. Bonds3

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

(5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol (PubChem CID 107329866) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol
PubChem CID107329866
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name(5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccc(Cl)s1)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H11ClN2OS/c15-13-7-6-12(19-13)14(18)11-8-9-16-17(11)10-4-2-1-3-5-10/h1-9,14,18H
InChIKeyLYGPNCZBQZDWHI-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-Chlorothiophen-2-yl)-2-hydroxyethyl]-1-ethyl-3-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine
CID 112080117
(3-Fluorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 130594771
(2-methyl-2H-pyrazole-3-yl)-thiophene-2-yl-methanol
CID 11528509
(2-Methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanol
CID 21909082
(R)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939245
(S)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939249
2-[1-(2-chlorophenyl)-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632397
2-[1-(2-Chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol
CID 59632693
[4-(4-Chlorophenyl)sulfanyl-1,3-dimethylpyrazol-5-yl]-pyridin-2-ylmethanol
CID 67852750
2-[1-(2-Chlorophenyl)-5-(5-prop-1-enylthiophen-2-yl)pyrazol-3-yl]propan-2-ol
CID 68656092
[3-(5-Chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 164073771
(2-Ethylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanol
CID 49962679

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol (CID 107329866) is (5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol is OC(c1ccc(Cl)s1)c1ccnn1-c1ccccc1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol?
The InChIKey is LYGPNCZBQZDWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-13-7-6-12(19-13)14(18)11-8-9-16-17(11)10-4-2-1-3-5-10/h1-9,14,18H.
What are the key properties of (5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol?
(5-chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol has a molecular weight of 290.78 g/mol, XLogP of 3.67, 3 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-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 107329866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).