3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide

C21H16ClFN4O2S — CID 67399667

IUPAC3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Cc1ccccc1Cl)Nc1[nH]nc2sc(C(=O)NCc3ccccc3F)cc12
InChIInChI=1S/C21H16ClFN4O2S/c22-15-7-3-1-5-12(15)9-18(28)25-19-14-10-17(30-21(14)27-26-19)20(29)24-11-13-6-2-4-8-16(13)23/h1-8,10H,9,11H2,(H,24,29)(H2,25,26,27,28)
InChIKeyORXJKEDVLILMNB-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.53
Rot. Bonds6

About 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67399667) has the molecular formula C21H16ClFN4O2S and a molecular weight of 442.90 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67399667
Molecular FormulaC21H16ClFN4O2S
Molecular Weight442.90 g/mol
Exact Mass442.07
IUPAC Name3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Cc1ccccc1Cl)Nc1[nH]nc2sc(C(=O)NCc3ccccc3F)cc12
InChIInChI=1S/C21H16ClFN4O2S/c22-15-7-3-1-5-12(15)9-18(28)25-19-14-10-17(30-21(14)27-26-19)20(29)24-11-13-6-2-4-8-16(13)23/h1-8,10H,9,11H2,(H,24,29)(H2,25,26,27,28)
InChIKeyORXJKEDVLILMNB-UHFFFAOYSA-N
XLogP4.53
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399257
N-[(2-chlorophenyl)methyl]-3-(1,3-thiazole-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400849
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398597
3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402006
N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465
N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397393
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
N-[(2-methylphenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399960

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67399667) is 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide is O=C(Cc1ccccc1Cl)Nc1[nH]nc2sc(C(=O)NCc3ccccc3F)cc12.
What is the InChIKey of 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is ORXJKEDVLILMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2S/c22-15-7-3-1-5-12(15)9-18(28)25-19-14-10-17(30-21(14)27-26-19)20(29)24-11-13-6-2-4-8-16(13)23/h1-8,10H,9,11H2,(H,24,29)(H2,25,26,27,28).
What are the key properties of 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67399667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).