N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide

C15H21N3O — CID 4768336

IUPACN-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H21N3O/c1-18-3-2-13(17-18)16-14(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12H,4-9H2,1H3,(H,16,17,19)
InChIKeyLNCBIPQLYMAUIZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide

N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide (PubChem CID 4768336) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
PubChem CID4768336
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H21N3O/c1-18-3-2-13(17-18)16-14(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12H,4-9H2,1H3,(H,16,17,19)
InChIKeyLNCBIPQLYMAUIZ-UHFFFAOYSA-N
XLogP2.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide (CID 4768336) is N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide is Cn1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
The InChIKey is LNCBIPQLYMAUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-3-2-13(17-18)16-14(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12H,4-9H2,1H3,(H,16,17,19).
What are the key properties of N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide?
N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 4768336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).