1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide

C24H29ClN4OS — CID 55337465

IUPAC1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(c1cccs1)N1CCC(C)CC1
InChIInChI=1S/C24H29ClN4OS/c1-17-10-12-28(13-11-17)20(21-9-6-14-31-21)15-26-24(30)22-18(2)27-29(23(22)25)16-19-7-4-3-5-8-19/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H,26,30)
InChIKeyUVGUTIHKJNAFAL-UHFFFAOYSA-N
MW457.04 g/mol
LogP5.16
Rot. Bonds7

About 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide

1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide (PubChem CID 55337465) has the molecular formula C24H29ClN4OS and a molecular weight of 457.04 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide
PubChem CID55337465
Molecular FormulaC24H29ClN4OS
Molecular Weight457.04 g/mol
Exact Mass456.18
IUPAC Name1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(c1cccs1)N1CCC(C)CC1
InChIInChI=1S/C24H29ClN4OS/c1-17-10-12-28(13-11-17)20(21-9-6-14-31-21)15-26-24(30)22-18(2)27-29(23(22)25)16-19-7-4-3-5-8-19/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H,26,30)
InChIKeyUVGUTIHKJNAFAL-UHFFFAOYSA-N
XLogP5.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.04
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
1-benzyl-5-chloro-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrazole-4-carboxamide
CID 31109395
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
1-benzyl-5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 43006258
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46493583
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9116652
[(1S)-2-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 9116651
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 42922665
1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 55527298
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
1-methyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-6-oxopyridazine-3-carboxamide
CID 34942270

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide (CID 55337465) is 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(c1cccs1)N1CCC(C)CC1.
What is the InChIKey of 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide?
The InChIKey is UVGUTIHKJNAFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4OS/c1-17-10-12-28(13-11-17)20(21-9-6-14-31-21)15-26-24(30)22-18(2)27-29(23(22)25)16-19-7-4-3-5-8-19/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H,26,30).
What are the key properties of 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide?
1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide has a molecular weight of 457.04 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55337465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).