N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C25H27N3O — CID 24863532

IUPACN-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)Nc2cccc3ccccc23)CC1c1ccccc1
InChIInChI=1S/C25H27N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-15,17,22H,2-3,5,16,18H2,1H3,(H,26,29)
InChIKeyZQWGPRBGGYHRSY-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.41
Rot. Bonds6

About N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24863532) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID24863532
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCCCCC1=NN(C(=O)Nc2cccc3ccccc23)CC1c1ccccc1
InChIInChI=1S/C25H27N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-15,17,22H,2-3,5,16,18H2,1H3,(H,26,29)
InChIKeyZQWGPRBGGYHRSY-UHFFFAOYSA-N
XLogP6.41
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-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-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 24863532) is N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is CCCCCC1=NN(C(=O)Nc2cccc3ccccc23)CC1c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is ZQWGPRBGGYHRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-15,17,22H,2-3,5,16,18H2,1H3,(H,26,29).
What are the key properties of N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5-pentyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24863532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).