N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide

C19H29N3O — CID 19477984

IUPACN-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C19H29N3O/c1-5-22-13(3)17(12(2)20-22)18(23)21(4)19-9-14-6-15(10-19)8-16(7-14)11-19/h14-16H,5-11H2,1-4H3
InChIKeyRLHWWTGMUBRVHJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.56
Rot. Bonds3

About N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide

N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 19477984) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide
PubChem CID19477984
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C19H29N3O/c1-5-22-13(3)17(12(2)20-22)18(23)21(4)19-9-14-6-15(10-19)8-16(7-14)11-19/h14-16H,5-11H2,1-4H3
InChIKeyRLHWWTGMUBRVHJ-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[1-adamantyl(methyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19278155
N-(1-adamantyl)-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278988
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
N-(1-adamantyl)-N-methylpyridine-4-carboxamide
CID 17384437
1-ethyl-N,3,5-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrazole-4-carboxamide
CID 125177076
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 46396678
N-(1-adamantyl)-4-iodo-N,1-dimethylpyrazole-5-carboxamide
CID 4147208
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91768343
N-(1-adamantyl)-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278645
1-ethyl-3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 35335785
N-(1-adamantyl)-N-methylpyridine-3-carboxamide
CID 2971348
(NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine
CID 35584031

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide (CID 19477984) is N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)c1C.
What is the InChIKey of N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is RLHWWTGMUBRVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-5-22-13(3)17(12(2)20-22)18(23)21(4)19-9-14-6-15(10-19)8-16(7-14)11-19/h14-16H,5-11H2,1-4H3.
What are the key properties of N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide?
N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19477984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).