3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide

C16H17N3OS2 — CID 155805705

IUPAC3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(/C=C/C2=NN(C(N)=O)C(c3ccc(C)s3)C2)s1
InChIInChI=1S/C16H17N3OS2/c1-10-3-6-13(21-10)7-5-12-9-14(19(18-12)16(17)20)15-8-4-11(2)22-15/h3-8,14H,9H2,1-2H3,(H2,17,20)/b7-5+
InChIKeyLJUHDMOPYJAJKS-FNORWQNLSA-N
MW331.47 g/mol
LogP4.32
Rot. Bonds3

About 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide

3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 155805705) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID155805705
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC Name3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(/C=C/C2=NN(C(N)=O)C(c3ccc(C)s3)C2)s1
InChIInChI=1S/C16H17N3OS2/c1-10-3-6-13(21-10)7-5-12-9-14(19(18-12)16(17)20)15-8-4-11(2)22-15/h3-8,14H,9H2,1-2H3,(H2,17,20)/b7-5+
InChIKeyLJUHDMOPYJAJKS-FNORWQNLSA-N
XLogP4.32
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide (CID 155805705) is 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(/C=C/C2=NN(C(N)=O)C(c3ccc(C)s3)C2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is LJUHDMOPYJAJKS-FNORWQNLSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-10-3-6-13(21-10)7-5-12-9-14(19(18-12)16(17)20)15-8-4-11(2)22-15/h3-8,14H,9H2,1-2H3,(H2,17,20)/b7-5+.
What are the key properties of 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide?
3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 331.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 155805705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).