1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C21H24N4O2S — CID 146093138

IUPAC1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN1CC(CNC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)CC1=O
InChIInChI=1S/C21H24N4O2S/c1-3-24-12-16(9-19(24)26)11-22-20(27)18-10-17-14(2)23-25(21(17)28-18)13-15-7-5-4-6-8-15/h4-8,10,16H,3,9,11-13H2,1-2H3,(H,22,27)
InChIKeyAEJBBRAJTVPROJ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.05
Rot. Bonds6

About 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 146093138) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID146093138
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN1CC(CNC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)CC1=O
InChIInChI=1S/C21H24N4O2S/c1-3-24-12-16(9-19(24)26)11-22-20(27)18-10-17-14(2)23-25(21(17)28-18)13-15-7-5-4-6-8-15/h4-8,10,16H,3,9,11-13H2,1-2H3,(H,22,27)
InChIKeyAEJBBRAJTVPROJ-UHFFFAOYSA-N
XLogP3.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8839650
N-(cyclopropylmethyl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 43050281
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 97060537
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
1-benzyl-N-[2-(diethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17442326
methyl 3-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoate
CID 26923771
1-benzyl-N-[2-(dimethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 18778103
1-benzyl-N-(4,4-difluoro-3-hydroxybutyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 146108586
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9050180
1-benzyl-N-[4-(diethylamino)-4-oxobutyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112842193
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 120535877

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 146093138) is 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is CCN1CC(CNC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)CC1=O.
What is the InChIKey of 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AEJBBRAJTVPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-3-24-12-16(9-19(24)26)11-22-20(27)18-10-17-14(2)23-25(21(17)28-18)13-15-7-5-4-6-8-15/h4-8,10,16H,3,9,11-13H2,1-2H3,(H,22,27).
What are the key properties of 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 146093138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).