N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide

C22H26ClN3O2 — CID 19478724

IUPACN-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccnn1COc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26ClN3O2/c1-25(22-11-15-8-16(12-22)10-17(9-15)13-22)21(27)19-6-7-24-26(19)14-28-20-5-3-2-4-18(20)23/h2-7,15-17H,8-14H2,1H3
InChIKeyJDJYWVFTOLNOCK-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.61
Rot. Bonds5

About N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide

N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19478724) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID19478724
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccnn1COc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26ClN3O2/c1-25(22-11-15-8-16(12-22)10-17(9-15)13-22)21(27)19-6-7-24-26(19)14-28-20-5-3-2-4-18(20)23/h2-7,15-17H,8-14H2,1H3
InChIKeyJDJYWVFTOLNOCK-UHFFFAOYSA-N
XLogP4.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-adamantyl)propyl]-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507102
2-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478731
2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19507070
2-[(2-chlorophenoxy)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide
CID 19478727
N-(1-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278579
ethyl 4-[2-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 19479138
2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19506994
N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278645
2-[(2-chlorophenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide
CID 19507003
2-[(2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19507080
N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507012
2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide
CID 19507055

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide (CID 19478724) is N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide is CN(C(=O)c1ccnn1COc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is JDJYWVFTOLNOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-25(22-11-15-8-16(12-22)10-17(9-15)13-22)21(27)19-6-7-24-26(19)14-28-20-5-3-2-4-18(20)23/h2-7,15-17H,8-14H2,1H3.
What are the key properties of N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19478724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).