N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

C20H17FN4O2S2 — CID 66786142

IUPACN-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(NC(=O)c3cccs3)[nH]nc2s1)c1ccccc1F
InChIInChI=1S/C20H17FN4O2S2/c1-20(2,12-6-3-4-7-13(12)21)23-18(27)15-10-11-16(24-25-19(11)29-15)22-17(26)14-8-5-9-28-14/h3-10H,1-2H3,(H,23,27)(H2,22,24,25,26)
InChIKeyUXVYWRCRACIUKV-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.74
Rot. Bonds5

About N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 66786142) has the molecular formula C20H17FN4O2S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID66786142
Molecular FormulaC20H17FN4O2S2
Molecular Weight428.51 g/mol
Exact Mass428.08
IUPAC NameN-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(NC(=O)c3cccs3)[nH]nc2s1)c1ccccc1F
InChIInChI=1S/C20H17FN4O2S2/c1-20(2,12-6-3-4-7-13(12)21)23-18(27)15-10-11-16(24-25-19(11)29-15)22-17(26)14-8-5-9-28-14/h3-10H,1-2H3,(H,23,27)(H2,22,24,25,26)
InChIKeyUXVYWRCRACIUKV-UHFFFAOYSA-N
XLogP4.74
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67158470
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377
N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 11177292
N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401518
N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-3-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67158417
N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786410
3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399771
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67159226
N-[2-(2-methoxyphenyl)propan-2-yl]-3-[[4-(1-methylpiperidin-4-yl)oxybenzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786961
3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398673
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 66786142) is N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is CC(C)(NC(=O)c1cc2c(NC(=O)c3cccs3)[nH]nc2s1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is UXVYWRCRACIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S2/c1-20(2,12-6-3-4-7-13(12)21)23-18(27)15-10-11-16(24-25-19(11)29-15)22-17(26)14-8-5-9-28-14/h3-10H,1-2H3,(H,23,27)(H2,22,24,25,26).
What are the key properties of N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 66786142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).