N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide

C17H25N3O — CID 71458596

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-19(11-15-3-4-18-20(15)2)16(21)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,12-14H,5-11H2,1-2H3
InChIKeyNXCOMAXQLLNOAC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.59
Rot. Bonds3

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide (PubChem CID 71458596) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
PubChem CID71458596
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-19(11-15-3-4-18-20(15)2)16(21)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,12-14H,5-11H2,1-2H3
InChIKeyNXCOMAXQLLNOAC-UHFFFAOYSA-N
XLogP2.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide (CID 71458596) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide is CN(Cc1ccnn1C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
The InChIKey is NXCOMAXQLLNOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(11-15-3-4-18-20(15)2)16(21)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,12-14H,5-11H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 71458596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).