2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide

C23H29N3O — CID 19346302

IUPAC2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
SMILESCc1ccccc1Cn1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C23H29N3O/c1-16-4-2-3-5-20(16)14-26-15-21(13-24-26)25-22(27)12-23-9-17-6-18(10-23)8-19(7-17)11-23/h2-5,13,15,17-19H,6-12,14H2,1H3,(H,25,27)
InChIKeyPDZYWQOAYWTYIW-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.78
Rot. Bonds5

About 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide

2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 19346302) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
PubChem CID19346302
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
SMILESCc1ccccc1Cn1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C23H29N3O/c1-16-4-2-3-5-20(16)14-26-15-21(13-24-26)25-22(27)12-23-9-17-6-18(10-23)8-19(7-17)11-23/h2-5,13,15,17-19H,6-12,14H2,1H3,(H,25,27)
InChIKeyPDZYWQOAYWTYIW-UHFFFAOYSA-N
XLogP4.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]adamantane-1-carboxamide
CID 19346308
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
1-[2-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502079
(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35277538
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide
CID 4863015
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19520859
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide (CID 19346302) is 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide is Cc1ccccc1Cn1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is PDZYWQOAYWTYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16-4-2-3-5-20(16)14-26-15-21(13-24-26)25-22(27)12-23-9-17-6-18(10-23)8-19(7-17)11-23/h2-5,13,15,17-19H,6-12,14H2,1H3,(H,25,27).
What are the key properties of 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?
2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 363.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 19346302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).