N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide

C19H21N5O4S — CID 167865252

IUPACN-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide
SMILESN#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C19H21N5O4S/c20-12-16-17(22-23-18(16)24-8-10-28-11-9-24)21-19(25)13-4-6-15(7-5-13)29(26,27)14-2-1-3-14/h4-7,14H,1-3,8-11H2,(H2,21,22,23,25)
InChIKeyPCUKQGDPMPHFBD-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.70
Rot. Bonds5

About N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide

N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide (PubChem CID 167865252) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide
PubChem CID167865252
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC NameN-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide
SMILESN#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C19H21N5O4S/c20-12-16-17(22-23-18(16)24-8-10-28-11-9-24)21-19(25)13-4-6-15(7-5-13)29(26,27)14-2-1-3-14/h4-7,14H,1-3,8-11H2,(H2,21,22,23,25)
InChIKeyPCUKQGDPMPHFBD-UHFFFAOYSA-N
XLogP1.70
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-morpholin-4-ylbenzamide
CID 154877200
N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-6-methylpyridine-3-carboxamide
CID 154877207
N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 166371043
N-(3-cyanothiophen-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2105108
N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119
4-cycloheptylsulfonylbenzoic acid
CID 82925823
2-diazo-2-[4-(oxan-4-ylsulfonyl)phenyl]acetic acid
CID 123251260
4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122326059
4-(cyclopropylsulfamoyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 55377324
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride
CID 120568913

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide?
The IUPAC name of N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide (CID 167865252) is N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide.
What is the SMILES notation for N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide?
The canonical SMILES for N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide is N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1.
What is the InChIKey of N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide?
The InChIKey is PCUKQGDPMPHFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c20-12-16-17(22-23-18(16)24-8-10-28-11-9-24)21-19(25)13-4-6-15(7-5-13)29(26,27)14-2-1-3-14/h4-7,14H,1-3,8-11H2,(H2,21,22,23,25).
What are the key properties of N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide?
N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide has a molecular weight of 415.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide is sourced from PubChem (CID 167865252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).