3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H16Cl2N4O2 — CID 71883639

IUPAC3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1nc2c(c1NC(=O)C1CC(c3ccc(Cl)cc3Cl)=NO1)CCC2
InChIInChI=1S/C17H16Cl2N4O2/c1-23-16(11-3-2-4-13(11)21-23)20-17(24)15-8-14(22-25-15)10-6-5-9(18)7-12(10)19/h5-7,15H,2-4,8H2,1H3,(H,20,24)
InChIKeyVKXGBDLVQZPTDY-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.35
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 71883639) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID71883639
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1nc2c(c1NC(=O)C1CC(c3ccc(Cl)cc3Cl)=NO1)CCC2
InChIInChI=1S/C17H16Cl2N4O2/c1-23-16(11-3-2-4-13(11)21-23)20-17(24)15-8-14(22-25-15)10-6-5-9(18)7-12(10)19/h5-7,15H,2-4,8H2,1H3,(H,20,24)
InChIKeyVKXGBDLVQZPTDY-UHFFFAOYSA-N
XLogP3.35
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 71883639) is 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1nc2c(c1NC(=O)C1CC(c3ccc(Cl)cc3Cl)=NO1)CCC2.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VKXGBDLVQZPTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-23-16(11-3-2-4-13(11)21-23)20-17(24)15-8-14(22-25-15)10-6-5-9(18)7-12(10)19/h5-7,15H,2-4,8H2,1H3,(H,20,24).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71883639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).