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

C21H26N4OS — CID 8839650

IUPAC1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1
InChIInChI=1S/C21H26N4OS/c1-3-24-11-7-10-17(24)13-22-20(26)19-12-18-15(2)23-25(21(18)27-19)14-16-8-5-4-6-9-16/h4-6,8-9,12,17H,3,7,10-11,13-14H2,1-2H3,(H,22,26)/t17-/m0/s1
InChIKeySESRHRUGWRRVLS-KRWDZBQOSA-N
MW382.53 g/mol
LogP3.67
Rot. Bonds6

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

1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 8839650) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID8839650
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1
InChIInChI=1S/C21H26N4OS/c1-3-24-11-7-10-17(24)13-22-20(26)19-12-18-15(2)23-25(21(18)27-19)14-16-8-5-4-6-9-16/h4-6,8-9,12,17H,3,7,10-11,13-14H2,1-2H3,(H,22,26)/t17-/m0/s1
InChIKeySESRHRUGWRRVLS-KRWDZBQOSA-N
XLogP3.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 146093138
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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
1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382
2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid
CID 120521214
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
1-benzyl-N-[4-(diethylamino)-4-oxobutyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112842193
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9050180
1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
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3-methyl-1-[(4-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 8839650) is 1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is CCN1CCC[C@H]1CNC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1.
What is the InChIKey of 1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SESRHRUGWRRVLS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-3-24-11-7-10-17(24)13-22-20(26)19-12-18-15(2)23-25(21(18)27-19)14-16-8-5-4-6-9-16/h4-6,8-9,12,17H,3,7,10-11,13-14H2,1-2H3,(H,22,26)/t17-/m0/s1.
What are the key properties of 1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 8839650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).