5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide

C12H14ClN3OS — CID 110336625

IUPAC5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Cl)s2)n(C)n1
InChIInChI=1S/C12H14ClN3OS/c1-3-6-14-12(17)8-7-9(16(2)15-8)10-4-5-11(13)18-10/h4-5,7H,3,6H2,1-2H3,(H,14,17)
InChIKeyQQFDNRRJNBLYGA-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.94
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide (PubChem CID 110336625) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
PubChem CID110336625
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Cl)s2)n(C)n1
InChIInChI=1S/C12H14ClN3OS/c1-3-6-14-12(17)8-7-9(16(2)15-8)10-4-5-11(13)18-10/h4-5,7H,3,6H2,1-2H3,(H,14,17)
InChIKeyQQFDNRRJNBLYGA-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide (CID 110336625) is 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1cc(-c2ccc(Cl)s2)n(C)n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide?
The InChIKey is QQFDNRRJNBLYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-3-6-14-12(17)8-7-9(16(2)15-8)10-4-5-11(13)18-10/h4-5,7H,3,6H2,1-2H3,(H,14,17).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide has a molecular weight of 283.78 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 110336625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).