N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide

C18H27N3O — CID 17168155

IUPACN-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccnn1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O/c1-3-16(20-17(22)15-4-5-19-21(15)2)18-9-12-6-13(10-18)8-14(7-12)11-18/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,20,22)
InChIKeyHBUFJZGUGSDTFC-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide

N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide (PubChem CID 17168155) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide
PubChem CID17168155
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccnn1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O/c1-3-16(20-17(22)15-4-5-19-21(15)2)18-9-12-6-13(10-18)8-14(7-12)11-18/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,20,22)
InChIKeyHBUFJZGUGSDTFC-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-4-bromo-1-methyl-3-pyrazolecarboxamide
CID 844286
[4-(1-Adamantyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6465121
N-(2-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
CID 844739
N-(1-adamantyl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
CID 4178910
N-(2-adamantyl)-4-chloro-2-methylpyrazole-3-carboxamide
CID 844616
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
CID 71458596
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
CID 3612272
N,N-dicyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 19617269
Rel-(9AR,13AS)-1-[(1-methyl-1H-pyrazol-5-YL)carbonyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201237
Rel-(9AR,13AS)-1-[(1-ethyl-1H-pyrazol-5-YL)carbonyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201238
Rel-(9AR,13AS)-1-[(1-ethyl-1H-pyrazol-3-YL)carbonyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201239

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide (CID 17168155) is N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide is CCC(NC(=O)c1ccnn1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is HBUFJZGUGSDTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-16(20-17(22)15-4-5-19-21(15)2)18-9-12-6-13(10-18)8-14(7-12)11-18/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide?
N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17168155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).