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

C23H23ClN4O3 — CID 118736188

IUPAC[4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H23ClN4O3/c24-16-8-10-18(11-9-16)28-21(14-20(27-28)22(25)29)15-6-12-19(13-7-15)31-23(30)26-17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H2,25,29)(H,26,30)
InChIKeySDZBCYTXFXJDBT-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.71
Rot. Bonds5

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

[4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate (PubChem CID 118736188) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is [4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate
PubChem CID118736188
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name[4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H23ClN4O3/c24-16-8-10-18(11-9-16)28-21(14-20(27-28)22(25)29)15-6-12-19(13-7-15)31-23(30)26-17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H2,25,29)(H,26,30)
InChIKeySDZBCYTXFXJDBT-UHFFFAOYSA-N
XLogP4.71
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate?
The IUPAC name of [4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate (CID 118736188) is [4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate is NC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate?
The InChIKey is SDZBCYTXFXJDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c24-16-8-10-18(11-9-16)28-21(14-20(27-28)22(25)29)15-6-12-19(13-7-15)31-23(30)26-17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H2,25,29)(H,26,30).
What are the key properties of [4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate?
[4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate has a molecular weight of 438.92 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-carbamoyl-1-(4-chlorophenyl)pyrazol-5-yl]phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 118736188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).