[3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate

C24H26N4O4 — CID 118736182

IUPAC[3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate
SMILESCOc1ccc(-n2nc(C(N)=O)cc2-c2cccc(OC(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-19-12-10-18(11-13-19)28-22(15-21(27-28)23(25)29)16-6-5-9-20(14-16)32-24(30)26-17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H2,25,29)(H,26,30)
InChIKeyFHQZOLZTWOCGPF-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.07
Rot. Bonds6

About [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate

[3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate (PubChem CID 118736182) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate
PubChem CID118736182
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name[3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate
SMILESCOc1ccc(-n2nc(C(N)=O)cc2-c2cccc(OC(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-19-12-10-18(11-13-19)28-22(15-21(27-28)23(25)29)16-6-5-9-20(14-16)32-24(30)26-17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H2,25,29)(H,26,30)
InChIKeyFHQZOLZTWOCGPF-UHFFFAOYSA-N
XLogP4.07
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate (CID 118736182) is [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate is COc1ccc(-n2nc(C(N)=O)cc2-c2cccc(OC(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate?
The InChIKey is FHQZOLZTWOCGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-19-12-10-18(11-13-19)28-22(15-21(27-28)23(25)29)16-6-5-9-20(14-16)32-24(30)26-17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H2,25,29)(H,26,30).
What are the key properties of [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate?
[3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate has a molecular weight of 434.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-carbamoyl-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 118736182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).