N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide

C17H21ClN4O3S — CID 53142858

IUPACN-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(Cl)cc2)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21ClN4O3S/c1-21-12-15(16(23)19-11-13-5-7-14(18)8-6-13)17(20-21)26(24,25)22-9-3-2-4-10-22/h5-8,12H,2-4,9-11H2,1H3,(H,19,23)
InChIKeyNYWKKQBEZMVDGX-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.18
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide (PubChem CID 53142858) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
PubChem CID53142858
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(Cl)cc2)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21ClN4O3S/c1-21-12-15(16(23)19-11-13-5-7-14(18)8-6-13)17(20-21)26(24,25)22-9-3-2-4-10-22/h5-8,12H,2-4,9-11H2,1H3,(H,19,23)
InChIKeyNYWKKQBEZMVDGX-UHFFFAOYSA-N
XLogP2.18
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 53142922
N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142624
3-(azepan-1-ylsulfonyl)-N-(3,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 53143001
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 53142817
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963
3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide
CID 53142985
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142821
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
5-chloro-1,3-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 46593410
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N,N-diethyl-1-methylpyrazole-4-carboxamide
CID 53336650
2-chloro-5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 41311671

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide (CID 53142858) is N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(S(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The InChIKey is NYWKKQBEZMVDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-21-12-15(16(23)19-11-13-5-7-14(18)8-6-13)17(20-21)26(24,25)22-9-3-2-4-10-22/h5-8,12H,2-4,9-11H2,1H3,(H,19,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 53142858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).