N-(2-methylpyrazol-3-yl)adamantane-1-carboxamide

C15H21N3O — CID 84582460

IUPACN-(2-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1nccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21N3O/c1-18-13(2-3-16-18)17-14(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12H,4-9H2,1H3,(H,17,19)
InChIKeyTURDNUBSRIUDDD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds2

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

N-(2-methylpyrazol-3-yl)adamantane-1-carboxamide (PubChem CID 84582460) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)adamantane-1-carboxamide
PubChem CID84582460
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-methylpyrazol-3-yl)adamantane-1-carboxamide
SMILESCn1nccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21N3O/c1-18-13(2-3-16-18)17-14(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12H,4-9H2,1H3,(H,17,19)
InChIKeyTURDNUBSRIUDDD-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-(2-methylpyrazol-3-yl)adamantane-1-carboxamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)adamantane-1-carboxamide (CID 84582460) is N-(2-methylpyrazol-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)adamantane-1-carboxamide is Cn1nccc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-methylpyrazol-3-yl)adamantane-1-carboxamide?
The InChIKey is TURDNUBSRIUDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-13(2-3-16-18)17-14(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12H,4-9H2,1H3,(H,17,19).
What are the key properties of N-(2-methylpyrazol-3-yl)adamantane-1-carboxamide?
N-(2-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-(2-methylpyrazol-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 84582460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).