N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H29N3O — CID 41331725

IUPACN-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-12-17(13(2)22(3)21-12)7-18(23)20-11-19-8-14-4-15(9-19)6-16(5-14)10-19/h14-16H,4-11H2,1-3H3,(H,20,23)
InChIKeyKATKBXBRQUTJRD-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.91
Rot. Bonds4

About N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 41331725) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID41331725
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-12-17(13(2)22(3)21-12)7-18(23)20-11-19-8-14-4-15(9-19)6-16(5-14)10-19/h14-16H,4-11H2,1-3H3,(H,20,23)
InChIKeyKATKBXBRQUTJRD-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-1-cyclohexyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
CID 16046254
2-(1-adamantyl)-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 4649296
2-(1-adamantyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CID 4384980
N-(1,3,5-trimethylpyrazol-4-yl)adamantane-1-carboxamide
CID 4381372
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51097118
N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30757353
N-[[1-(cyclohexanecarbonyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclohexanecarboxamide
CID 75366196
N-(1-adamantylmethyl)-4-bromo-2,5-dimethylpyrazole-3-carboxamide
CID 17020939
N-(1-adamantylmethyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4867864
N-[1-(1-adamantyl)propyl]-3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4867993
2-(1-adamantyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19295612

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 41331725) is N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is KATKBXBRQUTJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-12-17(13(2)22(3)21-12)7-18(23)20-11-19-8-14-4-15(9-19)6-16(5-14)10-19/h14-16H,4-11H2,1-3H3,(H,20,23).
What are the key properties of N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 315.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 41331725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).