2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide

C19H18N6OS — CID 91395268

IUPAC2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2cc(-c3cccs3)[nH]n2)c2ccn[nH]2)c1
InChIInChI=1S/C19H18N6OS/c1-13-4-2-5-14(10-13)25(18-7-8-20-24-18)12-19(26)21-17-11-15(22-23-17)16-6-3-9-27-16/h2-11H,12H2,1H3,(H,20,24)(H2,21,22,23,26)
InChIKeyUGUHVULEQRMEHM-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.95
Rot. Bonds6

About 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide

2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 91395268) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID91395268
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2cc(-c3cccs3)[nH]n2)c2ccn[nH]2)c1
InChIInChI=1S/C19H18N6OS/c1-13-4-2-5-14(10-13)25(18-7-8-20-24-18)12-19(26)21-17-11-15(22-23-17)16-6-3-9-27-16/h2-11H,12H2,1H3,(H,20,24)(H2,21,22,23,26)
InChIKeyUGUHVULEQRMEHM-UHFFFAOYSA-N
XLogP3.95
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide (CID 91395268) is 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide is Cc1cccc(N(CC(=O)Nc2cc(-c3cccs3)[nH]n2)c2ccn[nH]2)c1.
What is the InChIKey of 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is UGUHVULEQRMEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-13-4-2-5-14(10-13)25(18-7-8-20-24-18)12-19(26)21-17-11-15(22-23-17)16-6-3-9-27-16/h2-11H,12H2,1H3,(H,20,24)(H2,21,22,23,26).
What are the key properties of 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 378.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-N-(1H-pyrazol-5-yl)anilino]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 91395268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).