N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C18H27BrN6O3S — CID 17023425

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCCC(C(=O)NCc3nn(CC)cc3Br)C2)c(C)n1
InChIInChI=1S/C18H27BrN6O3S/c1-4-23-11-15(19)16(22-23)9-20-18(26)14-7-6-8-25(10-14)29(27,28)17-12-24(5-2)21-13(17)3/h11-12,14H,4-10H2,1-3H3,(H,20,26)
InChIKeyPAFZQCUOWAUPOA-UHFFFAOYSA-N
MW487.42 g/mol
LogP1.91
Rot. Bonds7

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 17023425) has the molecular formula C18H27BrN6O3S and a molecular weight of 487.42 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID17023425
Molecular FormulaC18H27BrN6O3S
Molecular Weight487.42 g/mol
Exact Mass486.10
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCCC(C(=O)NCc3nn(CC)cc3Br)C2)c(C)n1
InChIInChI=1S/C18H27BrN6O3S/c1-4-23-11-15(19)16(22-23)9-20-18(26)14-7-6-8-25(10-14)29(27,28)17-12-24(5-2)21-13(17)3/h11-12,14H,4-10H2,1-3H3,(H,20,26)
InChIKeyPAFZQCUOWAUPOA-UHFFFAOYSA-N
XLogP1.91
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide 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

(3R)-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 51391800
1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 17022331
(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
CID 7026078
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023494
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 4776817
(3S)-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 27527792
(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 40822913
[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19583677
cyclobutyl-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 138386749
[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 19583408
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide
CID 92626936
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 17023425) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is CCn1cc(S(=O)(=O)N2CCCC(C(=O)NCc3nn(CC)cc3Br)C2)c(C)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PAFZQCUOWAUPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN6O3S/c1-4-23-11-15(19)16(22-23)9-20-18(26)14-7-6-8-25(10-14)29(27,28)17-12-24(5-2)21-13(17)3/h11-12,14H,4-10H2,1-3H3,(H,20,26).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 487.42 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 17023425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).