N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide

C23H26N4O2S — CID 112822529

IUPACN-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCC(NC(=O)C4CC4)CC3)cc12
InChIInChI=1S/C23H26N4O2S/c1-15-19-13-20(30-23(19)27(25-15)14-16-5-3-2-4-6-16)22(29)26-11-9-18(10-12-26)24-21(28)17-7-8-17/h2-6,13,17-18H,7-12,14H2,1H3,(H,24,28)
InChIKeyWDHVDSZWRKEIIG-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 112822529) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID112822529
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCC(NC(=O)C4CC4)CC3)cc12
InChIInChI=1S/C23H26N4O2S/c1-15-19-13-20(30-23(19)27(25-15)14-16-5-3-2-4-6-16)22(29)26-11-9-18(10-12-26)24-21(28)17-7-8-17/h2-6,13,17-18H,7-12,14H2,1H3,(H,24,28)
InChIKeyWDHVDSZWRKEIIG-UHFFFAOYSA-N
XLogP3.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528241
(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 119380770
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 27670273
[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55464900
azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17423880
1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 32541107
1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382
[(3R)-3-aminopyrrolidin-1-yl]-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119412023
1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 120598947
N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
1-benzyl-3-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8885648

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide (CID 112822529) is N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide is Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCC(NC(=O)C4CC4)CC3)cc12.
What is the InChIKey of N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is WDHVDSZWRKEIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15-19-13-20(30-23(19)27(25-15)14-16-5-3-2-4-6-16)22(29)26-11-9-18(10-12-26)24-21(28)17-7-8-17/h2-6,13,17-18H,7-12,14H2,1H3,(H,24,28).
What are the key properties of N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112822529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).