cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

C17H21N3O3 — CID 55561698

IUPACcyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESNC(=O)C1CC(C(=O)OC2CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C17H21N3O3/c18-16(21)15-11-14(17(22)23-13-9-5-2-6-10-13)19-20(15)12-7-3-1-4-8-12/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H2,18,21)
InChIKeyPGUZVKLCELNAOP-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.98
Rot. Bonds4

About cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 55561698) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Namecyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID55561698
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namecyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESNC(=O)C1CC(C(=O)OC2CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C17H21N3O3/c18-16(21)15-11-14(17(22)23-13-9-5-2-6-10-13)19-20(15)12-7-3-1-4-8-12/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H2,18,21)
InChIKeyPGUZVKLCELNAOP-UHFFFAOYSA-N
XLogP1.98
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-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 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate (CID 55561698) is cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate is NC(=O)C1CC(C(=O)OC2CCCCC2)=NN1c1ccccc1.
What is the InChIKey of cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is PGUZVKLCELNAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-16(21)15-11-14(17(22)23-13-9-5-2-6-10-13)19-20(15)12-7-3-1-4-8-12/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H2,18,21).
What are the key properties of cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 55561698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).