N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C20H22ClFN6O3S — CID 17023228

IUPACN-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC(C(=O)Nc3nn(Cc4ccc(F)cc4)cc3Cl)C2)cn1
InChIInChI=1S/C20H22ClFN6O3S/c1-26-12-17(9-23-26)32(30,31)28-8-2-3-15(11-28)20(29)24-19-18(21)13-27(25-19)10-14-4-6-16(22)7-5-14/h4-7,9,12-13,15H,2-3,8,10-11H2,1H3,(H,24,25,29)
InChIKeyGFWWXGVOGQHTRQ-UHFFFAOYSA-N
MW480.95 g/mol
LogP2.50
Rot. Bonds6

About N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 17023228) has the molecular formula C20H22ClFN6O3S and a molecular weight of 480.95 g/mol. Its IUPAC name is N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID17023228
Molecular FormulaC20H22ClFN6O3S
Molecular Weight480.95 g/mol
Exact Mass480.11
IUPAC NameN-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC(C(=O)Nc3nn(Cc4ccc(F)cc4)cc3Cl)C2)cn1
InChIInChI=1S/C20H22ClFN6O3S/c1-26-12-17(9-23-26)32(30,31)28-8-2-3-15(11-28)20(29)24-19-18(21)13-27(25-19)10-14-4-6-16(22)7-5-14/h4-7,9,12-13,15H,2-3,8,10-11H2,1H3,(H,24,25,29)
InChIKeyGFWWXGVOGQHTRQ-UHFFFAOYSA-N
XLogP2.50
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-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

CID 134807814
CID 134807814
1-(2-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 26687030
N-[1-(2-Chloro-6-fluorobenzyl)-1H-pyrazol-3-YL]-1-[(1-methyl-1H-pyrazol-4-YL)sulfonyl]-3-piperidinecarboxamide
CID 17022353
N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-[4-(ethylsulfonyl)piperazin-1-yl]acetamide
CID 17024269
N-(2-benzylpyrazol-3-yl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17496766
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17508722
N-(1-Ethylpyrazol-3-YL)-1-(4-fluorobenzenesulfonyl)pyrrolidine-3-carboxamide
CID 110246582
N-(4-Fluorobenzyl)-1-[(1-methyl-1H-pyrazol-4-YL)sulfonyl]-3-piperidinecarboxamide
CID 4776520
N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-1-[(4-fluorophenyl)sulfonyl]-3-piperidinecarboxamide
CID 4777141
1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 8199173
N-(2-benzylpyrazol-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 16292334
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 16560083

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 17023228) is N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is Cn1cc(S(=O)(=O)N2CCCC(C(=O)Nc3nn(Cc4ccc(F)cc4)cc3Cl)C2)cn1.
What is the InChIKey of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GFWWXGVOGQHTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN6O3S/c1-26-12-17(9-23-26)32(30,31)28-8-2-3-15(11-28)20(29)24-19-18(21)13-27(25-19)10-14-4-6-16(22)7-5-14/h4-7,9,12-13,15H,2-3,8,10-11H2,1H3,(H,24,25,29).
What are the key properties of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 480.95 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 17023228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).