(5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate

C13H9ClN2O3S — CID 75511621

IUPAC(5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
SMILESO=C(OCc1ccc(Cl)s1)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C13H9ClN2O3S/c14-12-4-3-8(20-12)7-19-13(17)10-6-9(15-16-10)11-2-1-5-18-11/h1-6H,7H2,(H,15,16)
InChIKeyIGMBWQCULBMKRG-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.74
Rot. Bonds4

About (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate

(5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate (PubChem CID 75511621) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
PubChem CID75511621
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC Name(5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
SMILESO=C(OCc1ccc(Cl)s1)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C13H9ClN2O3S/c14-12-4-3-8(20-12)7-19-13(17)10-6-9(15-16-10)11-2-1-5-18-11/h1-6H,7H2,(H,15,16)
InChIKeyIGMBWQCULBMKRG-UHFFFAOYSA-N
XLogP3.74
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate (CID 75511621) is (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate is O=C(OCc1ccc(Cl)s1)c1cc(-c2ccco2)n[nH]1.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is IGMBWQCULBMKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c14-12-4-3-8(20-12)7-19-13(17)10-6-9(15-16-10)11-2-1-5-18-11/h1-6H,7H2,(H,15,16).
What are the key properties of (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
(5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 308.75 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 75511621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).