N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide

C15H21N3O — CID 3921645

IUPACN-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C15H21N3O/c1-9-2-13(18-17-9)16-14(19)15-6-10-3-11(7-15)5-12(4-10)8-15/h2,10-12H,3-8H2,1H3,(H2,16,17,18,19)
InChIKeyCLUGLRBGSOIVLE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.87
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide (PubChem CID 3921645) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide
PubChem CID3921645
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C15H21N3O/c1-9-2-13(18-17-9)16-14(19)15-6-10-3-11(7-15)5-12(4-10)8-15/h2,10-12H,3-8H2,1H3,(H2,16,17,18,19)
InChIKeyCLUGLRBGSOIVLE-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide (CID 3921645) is N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide is Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide?
The InChIKey is CLUGLRBGSOIVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9-2-13(18-17-9)16-14(19)15-6-10-3-11(7-15)5-12(4-10)8-15/h2,10-12H,3-8H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 3921645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).