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

C12H15N3OS — CID 61389198

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H15N3OS/c1-4-9-5-6-17-11(9)12(16)13-10-7(2)14-15-8(10)3/h5-6H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyWWUZMHHPTNTGLE-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.90
Rot. Bonds3

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide (PubChem CID 61389198) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide
PubChem CID61389198
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H15N3OS/c1-4-9-5-6-17-11(9)12(16)13-10-7(2)14-15-8(10)3/h5-6H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyWWUZMHHPTNTGLE-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide (CID 61389198) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide?
The InChIKey is WWUZMHHPTNTGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-4-9-5-6-17-11(9)12(16)13-10-7(2)14-15-8(10)3/h5-6H,4H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 61389198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).