N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide

C19H26N4O4S — CID 56552352

IUPACN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1cc(-c2ccccc2OC)[nH]n1
InChIInChI=1S/C19H26N4O4S/c1-3-12-28(25,26)23-11-7-6-9-16(23)19(24)20-18-13-15(21-22-18)14-8-4-5-10-17(14)27-2/h4-5,8,10,13,16H,3,6-7,9,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyRUGXTYLSERRMFO-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.62
Rot. Bonds7

About N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide

N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 56552352) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID56552352
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1cc(-c2ccccc2OC)[nH]n1
InChIInChI=1S/C19H26N4O4S/c1-3-12-28(25,26)23-11-7-6-9-16(23)19(24)20-18-13-15(21-22-18)14-8-4-5-10-17(14)27-2/h4-5,8,10,13,16H,3,6-7,9,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyRUGXTYLSERRMFO-UHFFFAOYSA-N
XLogP2.62
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56555581
(3R)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513892
(3S)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513893
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91954705
tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate
CID 55972215
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966193
2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
1-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 56552765
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55817715

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide (CID 56552352) is N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)Nc1cc(-c2ccccc2OC)[nH]n1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is RUGXTYLSERRMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-3-12-28(25,26)23-11-7-6-9-16(23)19(24)20-18-13-15(21-22-18)14-8-4-5-10-17(14)27-2/h4-5,8,10,13,16H,3,6-7,9,11-12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 56552352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).