N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide

C23H21Cl2N3O2 — CID 59450173

IUPACN-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)oc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C23H21Cl2N3O2/c1-13-7-9-16-19(11-13)30-22-20(23(29)26-15-5-3-2-4-6-15)27-28(21(16)22)18-10-8-14(24)12-17(18)25/h7-12,15H,2-6H2,1H3,(H,26,29)
InChIKeySXIKCDVSDDMVNV-UHFFFAOYSA-N
MW442.35 g/mol
LogP6.45
Rot. Bonds3

About N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide

N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (PubChem CID 59450173) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
PubChem CID59450173
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC NameN-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)oc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C23H21Cl2N3O2/c1-13-7-9-16-19(11-13)30-22-20(23(29)26-15-5-3-2-4-6-15)27-28(21(16)22)18-10-8-14(24)12-17(18)25/h7-12,15H,2-6H2,1H3,(H,26,29)
InChIKeySXIKCDVSDDMVNV-UHFFFAOYSA-N
XLogP6.45
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (CID 59450173) is N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is Cc1ccc2c(c1)oc1c(C(=O)NC3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c12.
What is the InChIKey of N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The InChIKey is SXIKCDVSDDMVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c1-13-7-9-16-19(11-13)30-22-20(23(29)26-15-5-3-2-4-6-15)27-28(21(16)22)18-10-8-14(24)12-17(18)25/h7-12,15H,2-6H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide has a molecular weight of 442.35 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is sourced from PubChem (CID 59450173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).