propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate

C21H26Cl2N4O5S — CID 19404499

IUPACpropan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)c(C(=O)OC(C)C)n1
InChIInChI=1S/C21H26Cl2N4O5S/c1-4-26-12-17(19(25-26)21(29)32-13(2)3)24-20(28)14-10-18(16(23)11-15(14)22)33(30,31)27-8-6-5-7-9-27/h10-13H,4-9H2,1-3H3,(H,24,28)
InChIKeyNDOWEOGVLWVGLI-UHFFFAOYSA-N
MW517.44 g/mol
LogP4.20
Rot. Bonds7

About propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate

propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate (PubChem CID 19404499) has the molecular formula C21H26Cl2N4O5S and a molecular weight of 517.44 g/mol. Its IUPAC name is propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate
PubChem CID19404499
Molecular FormulaC21H26Cl2N4O5S
Molecular Weight517.44 g/mol
Exact Mass516.10
IUPAC Namepropan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)c(C(=O)OC(C)C)n1
InChIInChI=1S/C21H26Cl2N4O5S/c1-4-26-12-17(19(25-26)21(29)32-13(2)3)24-20(28)14-10-18(16(23)11-15(14)22)33(30,31)27-8-6-5-7-9-27/h10-13H,4-9H2,1-3H3,(H,24,28)
InChIKeyNDOWEOGVLWVGLI-UHFFFAOYSA-N
XLogP4.20
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19331140
N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
CID 19397502
propan-2-yl 4-(butanoylamino)-1-ethylpyrazole-3-carboxylate
CID 19404584
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19397751
propan-2-yl 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404559
propan-2-yl 1-ethyl-4-[(5-nitro-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 135733107
propan-2-yl 4-[[1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404548
propan-2-yl 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404491
propan-2-yl 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404536
2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1087728
2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19330894
propan-2-yl 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19585960

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate?
The IUPAC name of propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate (CID 19404499) is propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate is CCn1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)c(C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate?
The InChIKey is NDOWEOGVLWVGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O5S/c1-4-26-12-17(19(25-26)21(29)32-13(2)3)24-20(28)14-10-18(16(23)11-15(14)22)33(30,31)27-8-6-5-7-9-27/h10-13H,4-9H2,1-3H3,(H,24,28).
What are the key properties of propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate?
propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate has a molecular weight of 517.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 19404499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).