N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide

C19H19ClN6O4S — CID 70656939

IUPACN-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(CNS(C)(=O)=O)on1
InChIInChI=1S/C19H19ClN6O4S/c1-12(23-19(27)18-8-15(30-25-18)10-22-31(2,28)29)11-26-6-5-17(24-26)13-3-4-14(9-21)16(20)7-13/h3-8,12,22H,10-11H2,1-2H3,(H,23,27)
InChIKeyTUJNGTOGJOUBBA-UHFFFAOYSA-N
MW462.92 g/mol
LogP1.93
Rot. Bonds8

About N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide

N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide (PubChem CID 70656939) has the molecular formula C19H19ClN6O4S and a molecular weight of 462.92 g/mol. Its IUPAC name is N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide
PubChem CID70656939
Molecular FormulaC19H19ClN6O4S
Molecular Weight462.92 g/mol
Exact Mass462.09
IUPAC NameN-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(CNS(C)(=O)=O)on1
InChIInChI=1S/C19H19ClN6O4S/c1-12(23-19(27)18-8-15(30-25-18)10-22-31(2,28)29)11-26-6-5-17(24-26)13-3-4-14(9-21)16(20)7-13/h3-8,12,22H,10-11H2,1-2H3,(H,23,27)
InChIKeyTUJNGTOGJOUBBA-UHFFFAOYSA-N
XLogP1.93
TPSA142.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(1-hydroxyethyl)isoxazole-3-carboxamide
CID 70656585
(S)-N-(1-(3-(3-chloro-4-cyano-2-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(morpholinomethyl)isoxazole-3-carboxamide
CID 52919829
(S)-5-acetyl-N-(1-(3-(3-chloro-4-cyano-5-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)isoxazole-3-carboxamide
CID 52919950
(S)-5-acetyl-N-(2-(3-(3-chloro-4-cyano-5-fluorophenyl)-1H-pyrazol-1-yl)-propyl)isoxazole-3-carboxamide
CID 52920063
N-((S)-1-(3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(1-hydroxy-2-methylpropyl)isoxazole-3-carboxamide
CID 66576288
N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 66576368
5-acetyl-N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 67172913
N-[1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 67173613
(S)-N-(1-(3-(3-chloro-4-cyano-5-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)-5-(2-hydroxypropan-2-yl)isoxazole-3-carboxamide
CID 67173614
5-acetyl-N-[2-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
CID 70654135
(S)-5-acetyl-N-(1-(3-(3-chloro-4-cyano-2-fluorophenyl)-1H-pyrazol-1-yl) propan-2-yl)isoxazole-3-carboxamide
CID 70655761
5-acetyl-N-[1-[3-(3-chloro-4-cyano-2-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 70655762

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide (CID 70656939) is N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide is CC(Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(CNS(C)(=O)=O)on1.
What is the InChIKey of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is TUJNGTOGJOUBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O4S/c1-12(23-19(27)18-8-15(30-25-18)10-22-31(2,28)29)11-26-6-5-17(24-26)13-3-4-14(9-21)16(20)7-13/h3-8,12,22H,10-11H2,1-2H3,(H,23,27).
What are the key properties of N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide?
N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 462.92 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(methanesulfonamidomethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70656939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).