1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide

C20H24N4OS — CID 120598947

IUPAC1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NC3CCNC(C)C3)cc12
InChIInChI=1S/C20H24N4OS/c1-13-10-16(8-9-21-13)22-19(25)18-11-17-14(2)23-24(20(17)26-18)12-15-6-4-3-5-7-15/h3-7,11,13,16,21H,8-10,12H2,1-2H3,(H,22,25)
InChIKeyRDGUPYGWUKIZMU-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.32
Rot. Bonds4

About 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 120598947) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID120598947
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NC3CCNC(C)C3)cc12
InChIInChI=1S/C20H24N4OS/c1-13-10-16(8-9-21-13)22-19(25)18-11-17-14(2)23-24(20(17)26-18)12-15-6-4-3-5-7-15/h3-7,11,13,16,21H,8-10,12H2,1-2H3,(H,22,25)
InChIKeyRDGUPYGWUKIZMU-UHFFFAOYSA-N
XLogP3.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120602651
1-benzyl-3-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8885648
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid
CID 120521214
2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 120535877
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120601726
1-benzyl-N-[2-(dimethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 18778103
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-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8839650
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9050180
1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 120598947) is 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2)c2sc(C(=O)NC3CCNC(C)C3)cc12.
What is the InChIKey of 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is RDGUPYGWUKIZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-13-10-16(8-9-21-13)22-19(25)18-11-17-14(2)23-24(20(17)26-18)12-15-6-4-3-5-7-15/h3-7,11,13,16,21H,8-10,12H2,1-2H3,(H,22,25).
What are the key properties of 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 120598947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).