N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide

C13H17N3OS — CID 6459128

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(C(C)CNC(=O)c2cccs2)n1
InChIInChI=1S/C13H17N3OS/c1-9-7-10(2)16(15-9)11(3)8-14-13(17)12-5-4-6-18-12/h4-7,11H,8H2,1-3H3,(H,14,17)
InChIKeyJKOGDQGBZBQSGW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide (PubChem CID 6459128) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide
PubChem CID6459128
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(C(C)CNC(=O)c2cccs2)n1
InChIInChI=1S/C13H17N3OS/c1-9-7-10(2)16(15-9)11(3)8-14-13(17)12-5-4-6-18-12/h4-7,11H,8H2,1-3H3,(H,14,17)
InChIKeyJKOGDQGBZBQSGW-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide (CID 6459128) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide is Cc1cc(C)n(C(C)CNC(=O)c2cccs2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide?
The InChIKey is JKOGDQGBZBQSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-7-10(2)16(15-9)11(3)8-14-13(17)12-5-4-6-18-12/h4-7,11H,8H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 6459128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).