(3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide

C17H25N3O — CID 27866402

IUPAC(3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)n1
InChIInChI=1S/C17H25N3O/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)14(21)18-13-4-5-20(3)19-13/h4-5,12H,6-11H2,1-3H3,(H,18,19,21)/t12?,15-,16+,17?
InChIKeyXOOXYENXVHTZBS-TWDRJXRQSA-N
MW287.41 g/mol
LogP3.36
Rot. Bonds2

About (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide

(3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide (PubChem CID 27866402) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
PubChem CID27866402
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)n1
InChIInChI=1S/C17H25N3O/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)14(21)18-13-4-5-20(3)19-13/h4-5,12H,6-11H2,1-3H3,(H,18,19,21)/t12?,15-,16+,17?
InChIKeyXOOXYENXVHTZBS-TWDRJXRQSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Adamantyl)-3-(1-ethylpyrazol-3-yl)urea
CID 71602996
3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
CID 18152589
N-(1-ethyl-1H-pyrazol-3-yl)cyclopentanecarboxamide
CID 35525134
N-(1-methylpyrazol-3-yl)cyclohexanecarboxamide
CID 16622020
N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 132378667
N-(4-cyano-1-methylpyrazol-3-yl)-3-(trifluoromethyl)adamantane-1-carboxamide
CID 132384272
N-(1-methyl-1H-pyrazol-5-yl)cyclohexanecarboxamide
CID 2808900
3,5-Dimethyl-N-(1-methyl-1H-pyrazol-3-YL)-1-adamantanecarboxamide
CID 4776255
4-tert-butyl-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 35273520
N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 35966346
N-{1-[1-(2-adamantyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 42209771
3-chloro-N-(2-cyclopentylpyrazol-3-yl)adamantane-1-carboxamide
CID 45839191

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The IUPAC name of (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide (CID 27866402) is (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The canonical SMILES for (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide is Cn1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)n1.
What is the InChIKey of (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The InChIKey is XOOXYENXVHTZBS-TWDRJXRQSA-N. The full InChI is InChI=1S/C17H25N3O/c1-15-6-12-7-16(2,9-15)11-17(8-12,10-15)14(21)18-13-4-5-20(3)19-13/h4-5,12H,6-11H2,1-3H3,(H,18,19,21)/t12?,15-,16+,17?.
What are the key properties of (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
(3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 27866402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).