N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

C22H27N3O2 — CID 19584803

IUPACN-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C22H27N3O2/c1-15-4-2-3-5-20(15)27-14-25-7-6-19(24-25)21(26)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-7,16-18H,8-14H2,1H3,(H,23,26)
InChIKeyQZIORRYDZOFMDT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.93
Rot. Bonds5

About N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19584803) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19584803
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C22H27N3O2/c1-15-4-2-3-5-20(15)27-14-25-7-6-19(24-25)21(26)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-7,16-18H,8-14H2,1H3,(H,23,26)
InChIKeyQZIORRYDZOFMDT-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-adamantyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277654
N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581490
N-(1-adamantyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275538
N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756236
1-[(2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19277504
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19277357
1-[(2-methylphenoxy)methyl]-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19277551
N-[1-(1-adamantyl)propyl]-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19272832
N-(1-adamantyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268926
N-(2-cyanophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277503
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277385

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (CID 19584803) is N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is Cc1ccccc1OCn1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is QZIORRYDZOFMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-4-2-3-5-20(15)27-14-25-7-6-19(24-25)21(26)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-7,16-18H,8-14H2,1H3,(H,23,26).
What are the key properties of N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19584803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).