4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide

C9H8ClN3OS — CID 67061325

IUPAC4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
SMILESCn1ncc(Cl)c1-c1csc(C(N)=O)c1
InChIInChI=1S/C9H8ClN3OS/c1-13-8(6(10)3-12-13)5-2-7(9(11)14)15-4-5/h2-4H,1H3,(H2,11,14)
InChIKeyNKOZBQHHOLIOIA-UHFFFAOYSA-N
MW241.70 g/mol
LogP1.90
Rot. Bonds2

About 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide

4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 67061325) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
PubChem CID67061325
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
SMILESCn1ncc(Cl)c1-c1csc(C(N)=O)c1
InChIInChI=1S/C9H8ClN3OS/c1-13-8(6(10)3-12-13)5-2-7(9(11)14)15-4-5/h2-4H,1H3,(H2,11,14)
InChIKeyNKOZBQHHOLIOIA-UHFFFAOYSA-N
XLogP1.90
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide (CID 67061325) is 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide is Cn1ncc(Cl)c1-c1csc(C(N)=O)c1.
What is the InChIKey of 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is NKOZBQHHOLIOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-13-8(6(10)3-12-13)5-2-7(9(11)14)15-4-5/h2-4H,1H3,(H2,11,14).
What are the key properties of 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide?
4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 241.70 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 67061325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).