N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide

C21H23Cl2N3O2 — CID 19270205

IUPACN-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccn(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C21H23Cl2N3O2/c22-16-1-2-19(17(23)10-16)28-11-26-4-3-18(25-26)21(27)24-20-14-6-12-5-13(8-14)9-15(20)7-12/h1-4,10,12-15,20H,5-9,11H2,(H,24,27)
InChIKeyFMHOPYQOSFNOAC-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.78
Rot. Bonds5

About N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide

N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19270205) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19270205
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC NameN-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccn(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C21H23Cl2N3O2/c22-16-1-2-19(17(23)10-16)28-11-26-4-3-18(25-26)21(27)24-20-14-6-12-5-13(8-14)9-15(20)7-12/h1-4,10,12-15,20H,5-9,11H2,(H,24,27)
InChIKeyFMHOPYQOSFNOAC-UHFFFAOYSA-N
XLogP4.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)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

1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19270375
N-(1-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278579
methyl 1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017513
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
N-(1-adamantyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277654
1-[(2,4-dichlorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19270392
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296859
N-[2-(4-bromopyrazol-1-yl)ethyl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19282919
1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 7017684
4-[[1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19270269
1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19270400
N-(1-adamantyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275538

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide (CID 19270205) is N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1ccn(COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is FMHOPYQOSFNOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c22-16-1-2-19(17(23)10-16)28-11-26-4-3-18(25-26)21(27)24-20-14-6-12-5-13(8-14)9-15(20)7-12/h1-4,10,12-15,20H,5-9,11H2,(H,24,27).
What are the key properties of N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 420.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19270205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).