3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide

C13H12N4OS — CID 65452569

IUPAC3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C13H12N4OS/c1-7-11(12(14)17-16-7)13(18)15-9-2-3-10-8(6-9)4-5-19-10/h2-6H,1H3,(H,15,18)(H3,14,16,17)
InChIKeyWKKMTPYXUAPEJH-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.77
Rot. Bonds2

About 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 65452569) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID65452569
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C13H12N4OS/c1-7-11(12(14)17-16-7)13(18)15-9-2-3-10-8(6-9)4-5-19-10/h2-6H,1H3,(H,15,18)(H3,14,16,17)
InChIKeyWKKMTPYXUAPEJH-UHFFFAOYSA-N
XLogP2.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide (CID 65452569) is 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is WKKMTPYXUAPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-11(12(14)17-16-7)13(18)15-9-2-3-10-8(6-9)4-5-19-10/h2-6H,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 65452569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).