(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

C14H11ClN2OS — CID 62276328

IUPAC(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClN2OS/c15-13-7-6-12(19-13)14(18)10-8-16-17(9-10)11-4-2-1-3-5-11/h1-9,14,18H
InChIKeyWPYQVBHKZMKCDE-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.67
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 62276328) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID62276328
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClN2OS/c15-13-7-6-12(19-13)14(18)10-8-16-17(9-10)11-4-2-1-3-5-11/h1-9,14,18H
InChIKeyWPYQVBHKZMKCDE-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

(R)-(5-Chloro-thiophen-2-yl)-[(4aR,5S)-1-(4-fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-methanol
CID 9980041
(R)-(2,5-Dichloro-thiophen-3-yl)-[(4aR,5S)-1-(4-fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-methanol
CID 44402030
[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
(1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(2-thienyl)methanol
CID 16191395
(1-(3-Chlorophenyl)-3-(4-(methylthio)phenyl)-1H-pyrazol-4-YL)methanol
CID 3250429
(1-(4-Chlorophenyl)-3-(4-(methylthio)phenyl)-1H-pyrazol-4-YL)methanol
CID 3736526
(2R,3S)-2-(1-phenylpyrazol-4-yl)-3-thiophen-3-ylbutan-2-ol
CID 164674011
3-[[1-(4-Fluorophenyl)pyrazol-4-yl]methylamino]-1-thiophen-2-ylbutan-1-ol
CID 109897825
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)(2-thienyl)methanol
CID 3697748
2-[1-(2-Chlorophenyl)-5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631654
(R)-[(4aR,5S)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(2,5-dichlorothiophen-3-yl)methanol
CID 142819652
[3-(5-Chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 164073771

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (CID 62276328) is (5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)c1)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is WPYQVBHKZMKCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-13-7-6-12(19-13)14(18)10-8-16-17(9-10)11-4-2-1-3-5-11/h1-9,14,18H.
What are the key properties of (5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
(5-chlorothiophen-2-yl)-(1-phenylpyrazol-4-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)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 62276328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).