1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide

C25H28ClN5O2 — CID 55768096

IUPAC1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C25H28ClN5O2/c1-17-22(23(26)31(29-17)16-18-6-3-2-4-7-18)25(33)28-21-9-5-8-19(14-21)15-30-12-10-20(11-13-30)24(27)32/h2-9,14,20H,10-13,15-16H2,1H3,(H2,27,32)(H,28,33)
InChIKeyDGZFKGPGXAOVDG-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.84
Rot. Bonds7

About 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55768096) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID55768096
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C25H28ClN5O2/c1-17-22(23(26)31(29-17)16-18-6-3-2-4-7-18)25(33)28-21-9-5-8-19(14-21)15-30-12-10-20(11-13-30)24(27)32/h2-9,14,20H,10-13,15-16H2,1H3,(H2,27,32)(H,28,33)
InChIKeyDGZFKGPGXAOVDG-UHFFFAOYSA-N
XLogP3.84
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 34333420
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34450856
1-benzyl-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55806857
1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858769
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 9279016
1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55796545
1-benzyl-N-[3-(carbamoylamino)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55539291
N-(3-carbamoylphenyl)-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46530418
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
1-benzyl-5-chloro-N-(1-ethylpiperidin-4-yl)-3-methylpyrazole-4-carboxamide
CID 30768138

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide (CID 55768096) is 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is DGZFKGPGXAOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-17-22(23(26)31(29-17)16-18-6-3-2-4-7-18)25(33)28-21-9-5-8-19(14-21)15-30-12-10-20(11-13-30)24(27)32/h2-9,14,20H,10-13,15-16H2,1H3,(H2,27,32)(H,28,33).
What are the key properties of 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 465.99 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55768096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).