N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide

C22H27N3O2 — CID 19278645

IUPACN-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(COc2ccccc2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O2/c1-24(22-12-16-9-17(13-22)11-18(10-16)14-22)21(26)20-7-8-25(23-20)15-27-19-5-3-2-4-6-19/h2-8,16-18H,9-15H2,1H3
InChIKeyVPFMZMGZCWTYQA-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.96
Rot. Bonds5

About N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide

N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide (PubChem CID 19278645) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
PubChem CID19278645
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(COc2ccccc2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O2/c1-24(22-12-16-9-17(13-22)11-18(10-16)14-22)21(26)20-7-8-25(23-20)15-27-19-5-3-2-4-6-19/h2-8,16-18H,9-15H2,1H3
InChIKeyVPFMZMGZCWTYQA-UHFFFAOYSA-N
XLogP3.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278579
N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581490
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 4862898
(3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 45147693
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278649
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19584803
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278648
N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 4776957
N-[1-(1-adamantyl)propyl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19276504
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19278925
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide (CID 19278645) is N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide is CN(C(=O)c1ccn(COc2ccccc2)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide?
The InChIKey is VPFMZMGZCWTYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24(22-12-16-9-17(13-22)11-18(10-16)14-22)21(26)20-7-8-25(23-20)15-27-19-5-3-2-4-6-19/h2-8,16-18H,9-15H2,1H3.
What are the key properties of N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide?
N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19278645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).