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'}

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Related Compounds

N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 25203979
4-[4-(2-adamantylcarbamoyl)-5-propan-2-ylpyrazol-1-yl]benzoic acid
CID 25006688
4-[4-(2-adamantylcarbamoyl)-5-cyclobutylpyrazol-1-yl]benzoic acid
CID 25007063
N-(1-adamantyl)-5-(benzylamino)-1-phenylpyrazole-4-carboxamide
CID 68502715
N-(2-adamantyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884030
N-(2-adamantyl)-1-phenylimidazole-4-carboxamide
CID 58695734
5-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-phenylpyrazole-4-carboxamide
CID 111661499
4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]-3-methylbenzoic acid
CID 25002424
N-(2-adamantyl)-2-aminobenzamide
CID 61214981
N-(2-adamantyl)-4-chloropyridine-3-carboxamide
CID 81230801
cis-(1S,2R)-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146107820
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853

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).