5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide

C12H12ClN3O2S — CID 71810129

IUPAC5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3O2S/c13-11-2-1-10(19-11)12(17)15-8-5-14-16(6-8)9-3-4-18-7-9/h1-2,5-6,9H,3-4,7H2,(H,15,17)
InChIKeyXXKIRIHVAYXWQY-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.81
Rot. Bonds3

About 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide

5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 71810129) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID71810129
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(C2CCOC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3O2S/c13-11-2-1-10(19-11)12(17)15-8-5-14-16(6-8)9-3-4-18-7-9/h1-2,5-6,9H,3-4,7H2,(H,15,17)
InChIKeyXXKIRIHVAYXWQY-UHFFFAOYSA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide (CID 71810129) is 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(C2CCOC2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is XXKIRIHVAYXWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-11-2-1-10(19-11)12(17)15-8-5-14-16(6-8)9-3-4-18-7-9/h1-2,5-6,9H,3-4,7H2,(H,15,17).
What are the key properties of 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 297.77 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71810129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).