(4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol

C9H9ClN2OS — CID 103130225

IUPAC(4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc(Cl)cs2)n1
InChIInChI=1S/C9H9ClN2OS/c1-12-3-2-7(11-12)9(13)8-4-6(10)5-14-8/h2-5,9,13H,1H3
InChIKeyKUZJDZMDCRSSQU-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.22
Rot. Bonds2

About (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol

(4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103130225) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103130225
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name(4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2cc(Cl)cs2)n1
InChIInChI=1S/C9H9ClN2OS/c1-12-3-2-7(11-12)9(13)8-4-6(10)5-14-8/h2-5,9,13H,1H3
InChIKeyKUZJDZMDCRSSQU-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dilopetine
CID 9816767
(1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(2-thienyl)methanol
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Dilopetine, (S)-
CID 9813942
(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(2-thienyl)methanol
CID 79018218
Dilopetine, (R)-
CID 9900003
2-(3-Fluorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanol
CID 103130626
1-(4-Chloro-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)sulfanylethanol
CID 113612122
2-(2-Fluorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanol
CID 113778835
2-(4-Fluorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanol
CID 113778836
1-(4-Chloro-1-ethylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 114644208
1-(4-Chloro-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 114644214
1-(4-Chloro-1-propylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 114644220

Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol (CID 103130225) is (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)c2cc(Cl)cs2)n1.
What is the InChIKey of (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is KUZJDZMDCRSSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-12-3-2-7(11-12)9(13)8-4-6(10)5-14-8/h2-5,9,13H,1H3.
What are the key properties of (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol?
(4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 228.70 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103130225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).