N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide

C19H29N3O — CID 5241695

IUPACN,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-17-7-14-8-18(2,11-17)13-19(9-14,12-17)16(23)21(3)10-15-5-6-22(4)20-15/h5-6,14H,7-13H2,1-4H3
InChIKeyQUHKYJUUBKJYQR-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.38
Rot. Bonds3

About N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide

N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide (PubChem CID 5241695) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
PubChem CID5241695
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H29N3O/c1-17-7-14-8-18(2,11-17)13-19(9-14,12-17)16(23)21(3)10-15-5-6-22(4)20-15/h5-6,14H,7-13H2,1-4H3
InChIKeyQUHKYJUUBKJYQR-UHFFFAOYSA-N
XLogP3.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4335808
2-(1-adamantyl)-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 4671711
N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 19294730
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19575432
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide
CID 71458596
N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
CID 3612272
1-(1-adamantylacetyl)-1H-pyrazole
CID 2970441
N-(1-Adamantyl)-1-(difluoromethyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 4767947
N-[1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 42892076
4-(1-Adamantyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one
CID 159718838
N-[(1S)-1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8363233
N-[(1R)-1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8363234

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide (CID 5241695) is N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide is CN(Cc1ccn(C)n1)C(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
The InChIKey is QUHKYJUUBKJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-17-7-14-8-18(2,11-17)13-19(9-14,12-17)16(23)21(3)10-15-5-6-22(4)20-15/h5-6,14H,7-13H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide?
N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 5241695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).