1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C25H24N6OS — CID 112836143

IUPAC1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3cc4c(C)nn(Cc5ccccc5)c4s3)cn2)n1
InChIInChI=1S/C25H24N6OS/c1-16-11-17(2)31(28-16)23-10-9-20(13-26-23)14-27-24(32)22-12-21-18(3)29-30(25(21)33-22)15-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3,(H,27,32)
InChIKeyFEAKMIORRUTUFM-UHFFFAOYSA-N
MW456.58 g/mol
LogP4.58
Rot. Bonds6

About 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 112836143) has the molecular formula C25H24N6OS and a molecular weight of 456.58 g/mol. Its IUPAC name is 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID112836143
Molecular FormulaC25H24N6OS
Molecular Weight456.58 g/mol
Exact Mass456.17
IUPAC Name1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3cc4c(C)nn(Cc5ccccc5)c4s3)cn2)n1
InChIInChI=1S/C25H24N6OS/c1-16-11-17(2)31(28-16)23-10-9-20(13-26-23)14-27-24(32)22-12-21-18(3)29-30(25(21)33-22)15-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3,(H,27,32)
InChIKeyFEAKMIORRUTUFM-UHFFFAOYSA-N
XLogP4.58
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24503097
1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 16588011
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78890714
2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
CID 55801093
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9050180
1-benzyl-3-methyl-N-[(2-nitrophenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 112836005
1-benzyl-N-[2-(diethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17442326
1-benzyl-N-[2-(dimethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 18778103
methyl 3-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoate
CID 26923771
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198
1-benzyl-N-[2-(4-methoxyphenoxy)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8935218

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 112836143) is 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)c3cc4c(C)nn(Cc5ccccc5)c4s3)cn2)n1.
What is the InChIKey of 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FEAKMIORRUTUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6OS/c1-16-11-17(2)31(28-16)23-10-9-20(13-26-23)14-27-24(32)22-12-21-18(3)29-30(25(21)33-22)15-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3,(H,27,32).
What are the key properties of 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 456.58 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 112836143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).