N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide

C15H21N3O — CID 81096057

IUPACN-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide
SMILESCc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1
InChIInChI=1S/C15H21N3O/c1-8-2-13(18-17-8)16-15(19)14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12,14H,3-7H2,1H3,(H2,16,17,18,19)
InChIKeyYQXJPTKHUHTBQU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.73
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide (PubChem CID 81096057) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide
PubChem CID81096057
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide
SMILESCc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1
InChIInChI=1S/C15H21N3O/c1-8-2-13(18-17-8)16-15(19)14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12,14H,3-7H2,1H3,(H2,16,17,18,19)
InChIKeyYQXJPTKHUHTBQU-UHFFFAOYSA-N
XLogP2.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65022914
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
1-acetyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 60973723
N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide
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CID 104622450
N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
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N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 112690355
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127185
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide
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CID 112524720

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide (CID 81096057) is N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide is Cc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide?
The InChIKey is YQXJPTKHUHTBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-8-2-13(18-17-8)16-15(19)14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12,14H,3-7H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide is sourced from PubChem (CID 81096057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).