N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide

C17H25N3O — CID 4124487

IUPACN-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-11-15(10-19(2)18-11)16(21)20(3)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,4-9H2,1-3H3
InChIKeyOKEBJVXDBOVROB-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.77
Rot. Bonds2

About N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide

N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide (PubChem CID 4124487) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide
PubChem CID4124487
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3O/c1-11-15(10-19(2)18-11)16(21)20(3)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,4-9H2,1-3H3
InChIKeyOKEBJVXDBOVROB-UHFFFAOYSA-N
XLogP2.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-4-bromo-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4174753
N-(1-adamantyl)-N,1-dimethylpyrazole-4-carboxamide
CID 4048337
1-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353878
2-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353879
1-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353881
2-(1-adamantyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4335808
2-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353981
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
CID 3612272
N,N-dicyclohexyl-1-ethyl-3-methyl-1H-pyrazole-4-carboxamide
CID 19575453
2,3,4,5,5a,6,7,8,9,9a-Decahydrobenzo[b]azepin-1-yl-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 119043230
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 138004890

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide (CID 4124487) is N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide?
The InChIKey is OKEBJVXDBOVROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-15(10-19(2)18-11)16(21)20(3)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,4-9H2,1-3H3.
What are the key properties of N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide?
N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 4124487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).