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

C11H13ClN2OS — CID 103027765

IUPAC1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)c2sccc2Cl)cn1
InChIInChI=1S/C11H13ClN2OS/c1-14-7-8(6-13-14)2-3-10(15)11-9(12)4-5-16-11/h4-7,10,15H,2-3H2,1H3
InChIKeyISBMLPAAANIXBR-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.80
Rot. Bonds4

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

1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103027765) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103027765
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)c2sccc2Cl)cn1
InChIInChI=1S/C11H13ClN2OS/c1-14-7-8(6-13-14)2-3-10(15)11-9(12)4-5-16-11/h4-7,10,15H,2-3H2,1H3
InChIKeyISBMLPAAANIXBR-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
3-(1-Methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 103027810
1-(5-Bromo-4-methylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027876
3-(1-Methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
CID 103027895
1-(5-Bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027898
1-(3-Ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027918
1-(3-Chlorothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027947
(3-Fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 130594717
1-(4-(1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl)thiophen-2-yl)ethanol
CID 178291129
1-(4-(1-(2,2-Difluoropropyl)-1H-pyrazol-4-yl)thiophen-2-yl)ethanol
CID 178291131
1-(4-(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)thiophen-2-yl)ethanol
CID 178291133

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103027765) is 1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(CCC(O)c2sccc2Cl)cn1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is ISBMLPAAANIXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-14-7-8(6-13-14)2-3-10(15)11-9(12)4-5-16-11/h4-7,10,15H,2-3H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-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-(3-chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103027765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).