N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide

C24H32N4O2 — CID 25204054

IUPACN-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cnn(-c2ccccc2)c1NCCCCO
InChIInChI=1S/C24H32N4O2/c29-9-5-4-8-25-23-21(15-26-28(23)20-6-2-1-3-7-20)24(30)27-22-18-11-16-10-17(13-18)14-19(22)12-16/h1-3,6-7,15-19,22,25,29H,4-5,8-14H2,(H,27,30)
InChIKeyKZROPRGGWLWJLM-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.61
Rot. Bonds8

About N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide

N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide (PubChem CID 25204054) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide
PubChem CID25204054
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cnn(-c2ccccc2)c1NCCCCO
InChIInChI=1S/C24H32N4O2/c29-9-5-4-8-25-23-21(15-26-28(23)20-6-2-1-3-7-20)24(30)27-22-18-11-16-10-17(13-18)14-19(22)12-16/h1-3,6-7,15-19,22,25,29H,4-5,8-14H2,(H,27,30)
InChIKeyKZROPRGGWLWJLM-UHFFFAOYSA-N
XLogP3.61
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-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-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide (CID 25204054) is N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cnn(-c2ccccc2)c1NCCCCO.
What is the InChIKey of N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide?
The InChIKey is KZROPRGGWLWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-9-5-4-8-25-23-21(15-26-28(23)20-6-2-1-3-7-20)24(30)27-22-18-11-16-10-17(13-18)14-19(22)12-16/h1-3,6-7,15-19,22,25,29H,4-5,8-14H2,(H,27,30).
What are the key properties of N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide?
N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25204054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).