(3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

C15H13ClN2OS — CID 103404328

IUPAC(3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESCc1csc(C(O)c2cnn(-c3ccccc3)c2)c1Cl
InChIInChI=1S/C15H13ClN2OS/c1-10-9-20-15(13(10)16)14(19)11-7-17-18(8-11)12-5-3-2-4-6-12/h2-9,14,19H,1H3
InChIKeyLFGTUATZXPRAMN-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.98
Rot. Bonds3

About (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

(3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 103404328) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID103404328
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESCc1csc(C(O)c2cnn(-c3ccccc3)c2)c1Cl
InChIInChI=1S/C15H13ClN2OS/c1-10-9-20-15(13(10)16)14(19)11-7-17-18(8-11)12-5-3-2-4-6-12/h2-9,14,19H,1H3
InChIKeyLFGTUATZXPRAMN-UHFFFAOYSA-N
XLogP3.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
(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
{1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]piperidin-4-yl}(2-thienyl)methanol
CID 131904673
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)(2-thienyl)methanol
CID 3697748
[3-(5-Chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 164073771
(1-Ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 171763235
(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 1479305
(R)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 1479306
(1-Benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol
CID 25479420
(R)-[1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 25811216

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (CID 103404328) is (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol is Cc1csc(C(O)c2cnn(-c3ccccc3)c2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is LFGTUATZXPRAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-10-9-20-15(13(10)16)14(19)11-7-17-18(8-11)12-5-3-2-4-6-12/h2-9,14,19H,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 304.80 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 103404328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).