N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C24H21N5O2S — CID 1142445

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc12
InChIInChI=1S/C24H21N5O2S/c1-15-19-14-20(32-24(19)28(26-15)17-10-6-4-7-11-17)22(30)25-21-16(2)27(3)29(23(21)31)18-12-8-5-9-13-18/h4-14H,1-3H3,(H,25,30)
InChIKeyWIEJADKUYLLKPX-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.45
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 1142445) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID1142445
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc12
InChIInChI=1S/C24H21N5O2S/c1-15-19-14-20(32-24(19)28(26-15)17-10-6-4-7-11-17)22(30)25-21-16(2)27(3)29(23(21)31)18-12-8-5-9-13-18/h4-14H,1-3H3,(H,25,30)
InChIKeyWIEJADKUYLLKPX-UHFFFAOYSA-N
XLogP4.45
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1083422
N-cyclohexyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 651459
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
CB2 Inhibitor, 2
CID 16376054
3-Methyl-5-(4-morpholinylcarbonyl)-1-phenyl-1H-thieno[2,3-c]pyrazole
CID 617776
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
3-methyl-N-(3-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 755153
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105
(3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-methanone
CID 1076000
N-(3-chlorophenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1125181
N-(4-acetylphenyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 1452121
1-cyclohexyl-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 44610732

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 1142445) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc12.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WIEJADKUYLLKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-15-19-14-20(32-24(19)28(26-15)17-10-6-4-7-11-17)22(30)25-21-16(2)27(3)29(23(21)31)18-12-8-5-9-13-18/h4-14H,1-3H3,(H,25,30).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 1142445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).