N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide

C16H24N4O — CID 65359224

IUPACN-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H24N4O/c1-2-20-9-13(17)14(19-20)15(21)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,2-8,17H2,1H3,(H,18,21)
InChIKeyJTVPPLIYTPJWDK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.18
Rot. Bonds3

About N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide

N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide (PubChem CID 65359224) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide
PubChem CID65359224
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H24N4O/c1-2-20-9-13(17)14(19-20)15(21)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,2-8,17H2,1H3,(H,18,21)
InChIKeyJTVPPLIYTPJWDK-UHFFFAOYSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-4-bromo-1-ethylpyrazole-3-carboxamide
CID 19267269
4-amino-1-ethyl-N-(2-methylcyclopropyl)pyrazole-3-carboxamide
CID 65358265
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide
CID 65358133
4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
CID 114098963
4-amino-1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrazole-3-carboxamide
CID 103965202
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
CID 19620451
4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide
CID 104827278
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 65357738
4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
CID 106899160

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide (CID 65359224) is N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide?
The InChIKey is JTVPPLIYTPJWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-20-9-13(17)14(19-20)15(21)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,2-8,17H2,1H3,(H,18,21).
What are the key properties of N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide?
N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 65359224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).