1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C11H13ClN2OS — CID 103006427

IUPAC1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cc(Cl)cs1
InChIInChI=1S/C11H13ClN2OS/c1-14-9(4-5-13-14)2-3-10(15)11-6-8(12)7-16-11/h4-7,10,15H,2-3H2,1H3
InChIKeyAZQGTWLKPUMXMI-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103006427) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103006427
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cc(Cl)cs1
InChIInChI=1S/C11H13ClN2OS/c1-14-9(4-5-13-14)2-3-10(15)11-6-8(12)7-16-11/h4-7,10,15H,2-3H2,1H3
InChIKeyAZQGTWLKPUMXMI-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(2-thienyl)methanol
CID 16191395
(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(2-thienyl)methanol
CID 79018218
1-(4-Chloro-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)sulfanylethanol
CID 113612122
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-ethylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 114644222
1-(4-Chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 114644228
1-(4-Chloro-1-ethylpyrazol-5-yl)-2-(4-fluorophenyl)sulfanylethanol
CID 114644235
(3-Fluorothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 130594771
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)(2-thienyl)methanol
CID 3697748
(2-methyl-2H-pyrazole-3-yl)-thiophene-2-yl-methanol
CID 11528509
(4-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11536370

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103006427) is 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1CCC(O)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is AZQGTWLKPUMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-14-9(4-5-13-14)2-3-10(15)11-6-8(12)7-16-11/h4-7,10,15H,2-3H2,1H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 256.76 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103006427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).