3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide

C16H16N4O2S — CID 67398673

IUPAC3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2c(NC(=O)c3ccccc3)[nH]nc2s1
InChIInChI=1S/C16H16N4O2S/c1-9(2)17-15(22)12-8-11-13(19-20-16(11)23-12)18-14(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,22)(H2,18,19,20,21)
InChIKeyIMRMGXCRNSEACK-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.01
Rot. Bonds4

About 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67398673) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67398673
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2c(NC(=O)c3ccccc3)[nH]nc2s1
InChIInChI=1S/C16H16N4O2S/c1-9(2)17-15(22)12-8-11-13(19-20-16(11)23-12)18-14(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,22)(H2,18,19,20,21)
InChIKeyIMRMGXCRNSEACK-UHFFFAOYSA-N
XLogP3.01
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
3-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68823372
3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68819738
3-[(2-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399771
N-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399374
3-[(3-chlorobenzoyl)amino]-N-(2,6-diethylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399038
N-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402095
3-[[2-(1H-pyrrole-3-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68859990
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377
N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786410

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67398673) is 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide is CC(C)NC(=O)c1cc2c(NC(=O)c3ccccc3)[nH]nc2s1.
What is the InChIKey of 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is IMRMGXCRNSEACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9(2)17-15(22)12-8-11-13(19-20-16(11)23-12)18-14(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,22)(H2,18,19,20,21).
What are the key properties of 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67398673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).