N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

C18H23ClN4O3S — CID 19411665

IUPACN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)nn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H23ClN4O3S/c1-13-10-17(21-23(13)12-14-4-3-5-16(19)11-14)20-18(24)15-6-8-22(9-7-15)27(2,25)26/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,20,21,24)
InChIKeySKLUMWWQWCHQCX-UHFFFAOYSA-N
MW410.93 g/mol
LogP2.50
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19411665) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19411665
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)nn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H23ClN4O3S/c1-13-10-17(21-23(13)12-14-4-3-5-16(19)11-14)20-18(24)15-6-8-22(9-7-15)27(2,25)26/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,20,21,24)
InChIKeySKLUMWWQWCHQCX-UHFFFAOYSA-N
XLogP2.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 19337382
N-(5-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642541
1-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-propylthiourea
CID 19403536
methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 19411471
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
N-(3-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642542
1-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2-phenylethyl)thiourea
CID 19403517

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 19411665) is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)nn1Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is SKLUMWWQWCHQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S/c1-13-10-17(21-23(13)12-14-4-3-5-16(19)11-14)20-18(24)15-6-8-22(9-7-15)27(2,25)26/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,20,21,24).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19411665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).