N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

C20H16N4O2S2 — CID 11177292

IUPACN-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)NC3(c4ccccc4)CC3)cc12)c1cccs1
InChIInChI=1S/C20H16N4O2S2/c25-17(14-7-4-10-27-14)21-16-13-11-15(28-19(13)24-23-16)18(26)22-20(8-9-20)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,22,26)(H2,21,23,24,25)
InChIKeyIGUHMKJFXUPMNZ-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.36
Rot. Bonds5

About N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide

N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 11177292) has the molecular formula C20H16N4O2S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID11177292
Molecular FormulaC20H16N4O2S2
Molecular Weight408.51 g/mol
Exact Mass408.07
IUPAC NameN-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)NC3(c4ccccc4)CC3)cc12)c1cccs1
InChIInChI=1S/C20H16N4O2S2/c25-17(14-7-4-10-27-14)21-16-13-11-15(28-19(13)24-23-16)18(26)22-20(8-9-20)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,22,26)(H2,21,23,24,25)
InChIKeyIGUHMKJFXUPMNZ-UHFFFAOYSA-N
XLogP4.36
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)propan-2-yl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786142
N-(2-phenylpropan-2-yl)-3-[[2-(thiophene-2-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67158470
N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66786410
N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401518
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55461957
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
N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide
CID 113091117
N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381215
N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377
N-[(2-chlorophenyl)methyl]-3-(1,3-thiazole-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400849

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 11177292) is N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is O=C(Nc1[nH]nc2sc(C(=O)NC3(c4ccccc4)CC3)cc12)c1cccs1.
What is the InChIKey of N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is IGUHMKJFXUPMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S2/c25-17(14-7-4-10-27-14)21-16-13-11-15(28-19(13)24-23-16)18(26)22-20(8-9-20)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,22,26)(H2,21,23,24,25).
What are the key properties of N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopropyl)-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 11177292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).