N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide

C24H34N4O3 — CID 118511111

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCCCC1(C)C
InChIInChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)18-13-9-10-14-24(18,3)4)22(29)25-20-16(2)27(5)28(23(20)30)17-11-7-6-8-12-17/h13,17H,6-12,14H2,1-5H3,(H,25,29)
InChIKeyDGNFKQCNOKELPI-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.14
Rot. Bonds4

About N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118511111) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID118511111
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCCCC1(C)C
InChIInChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)18-13-9-10-14-24(18,3)4)22(29)25-20-16(2)27(5)28(23(20)30)17-11-7-6-8-12-17/h13,17H,6-12,14H2,1-5H3,(H,25,29)
InChIKeyDGNFKQCNOKELPI-UHFFFAOYSA-N
XLogP5.14
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-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-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide (CID 118511111) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCCCC1(C)C.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DGNFKQCNOKELPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)18-13-9-10-14-24(18,3)4)22(29)25-20-16(2)27(5)28(23(20)30)17-11-7-6-8-12-17/h13,17H,6-12,14H2,1-5H3,(H,25,29).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(6,6-dimethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).