N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide

C11H13N3OS — CID 115594741

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C)c2C)s1
InChIInChI=1S/C11H13N3OS/c1-6-4-5-9(16-6)11(15)12-10-7(2)8(3)13-14-10/h4-5H,1-3H3,(H2,12,13,14,15)
InChIKeyVIGXPDLBMKGKSI-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.65
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide (PubChem CID 115594741) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide
PubChem CID115594741
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C)c2C)s1
InChIInChI=1S/C11H13N3OS/c1-6-4-5-9(16-6)11(15)12-10-7(2)8(3)13-14-10/h4-5H,1-3H3,(H2,12,13,14,15)
InChIKeyVIGXPDLBMKGKSI-UHFFFAOYSA-N
XLogP2.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide (CID 115594741) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2n[nH]c(C)c2C)s1.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is VIGXPDLBMKGKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6-4-5-9(16-6)11(15)12-10-7(2)8(3)13-14-10/h4-5H,1-3H3,(H2,12,13,14,15).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 115594741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).