cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate

C25H25Cl2N5O4 — CID 50907754

IUPACcyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C(=O)OC2CCCCC2)nn1-c1ncccc1Cl
InChIInChI=1S/C25H25Cl2N5O4/c1-14-11-15(26)12-17(23(33)28-2)21(14)30-24(34)20-13-19(25(35)36-16-7-4-3-5-8-16)31-32(20)22-18(27)9-6-10-29-22/h6,9-13,16H,3-5,7-8H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyPLGCKMYSOJKBAH-UHFFFAOYSA-N
MW530.41 g/mol
LogP4.98
Rot. Bonds6

About cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate

cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate (PubChem CID 50907754) has the molecular formula C25H25Cl2N5O4 and a molecular weight of 530.41 g/mol. Its IUPAC name is cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
PubChem CID50907754
Molecular FormulaC25H25Cl2N5O4
Molecular Weight530.41 g/mol
Exact Mass529.13
IUPAC Namecyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C(=O)OC2CCCCC2)nn1-c1ncccc1Cl
InChIInChI=1S/C25H25Cl2N5O4/c1-14-11-15(26)12-17(23(33)28-2)21(14)30-24(34)20-13-19(25(35)36-16-7-4-3-5-8-16)31-32(20)22-18(27)9-6-10-29-22/h6,9-13,16H,3-5,7-8H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyPLGCKMYSOJKBAH-UHFFFAOYSA-N
XLogP4.98
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.41
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate 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 cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate (CID 50907754) is cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C(=O)OC2CCCCC2)nn1-c1ncccc1Cl.
What is the InChIKey of cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is PLGCKMYSOJKBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N5O4/c1-14-11-15(26)12-17(23(33)28-2)21(14)30-24(34)20-13-19(25(35)36-16-7-4-3-5-8-16)31-32(20)22-18(27)9-6-10-29-22/h6,9-13,16H,3-5,7-8H2,1-2H3,(H,28,33)(H,30,34).
What are the key properties of cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate?
cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 530.41 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 50907754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).