(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol

C14H11ClN2OS — CID 107361942

IUPAC(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccn(-c2ccccc2)n1)c1sccc1Cl
InChIInChI=1S/C14H11ClN2OS/c15-11-7-9-19-14(11)13(18)12-6-8-17(16-12)10-4-2-1-3-5-10/h1-9,13,18H
InChIKeyZXJLAWRPGQOVKH-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.67
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol

(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol (PubChem CID 107361942) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
PubChem CID107361942
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccn(-c2ccccc2)n1)c1sccc1Cl
InChIInChI=1S/C14H11ClN2OS/c15-11-7-9-19-14(11)13(18)12-6-8-17(16-12)10-4-2-1-3-5-10/h1-9,13,18H
InChIKeyZXJLAWRPGQOVKH-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

(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 107361673
1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115204
furan-2-yl-(1-phenylpyrazol-3-yl)methanol
CID 105097286
(1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 105097959
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
CID 105089447
(3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol
CID 107359083
4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole
CID 80641516
(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol
CID 106648410
2-(2-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105096491
(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
CID 80530245
4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105091442
[1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324589

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol (CID 107361942) is (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol is OC(c1ccn(-c2ccccc2)n1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol?
The InChIKey is ZXJLAWRPGQOVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-11-7-9-19-14(11)13(18)12-6-8-17(16-12)10-4-2-1-3-5-10/h1-9,13,18H.
What are the key properties of (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol?
(3-chlorothiophen-2-yl)-(1-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 (3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 107361942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).