N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

C18H25N3O2 — CID 18618961

IUPACN-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O2/c1-3-5-9-14(4-2)13-19-18(23)16-12-17(22)21(20-16)15-10-7-6-8-11-15/h6-8,10-12,14,20H,3-5,9,13H2,1-2H3,(H,19,23)
InChIKeyZYVJWTSIMMFWAO-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.11
Rot. Bonds8

About N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 18618961) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
PubChem CID18618961
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O2/c1-3-5-9-14(4-2)13-19-18(23)16-12-17(22)21(20-16)15-10-7-6-8-11-15/h6-8,10-12,14,20H,3-5,9,13H2,1-2H3,(H,19,23)
InChIKeyZYVJWTSIMMFWAO-UHFFFAOYSA-N
XLogP3.11
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54252922
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N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
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N-(2-ethylhexyl)-1-phenylpiperidine-4-carboxamide
CID 17152439
N-[(2S)-2-ethylhexyl]-1-oxoisochromene-3-carboxamide
CID 7045420
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (CID 18618961) is N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is CCCCC(CC)CNC(=O)c1cc(=O)n(-c2ccccc2)[nH]1.
What is the InChIKey of N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZYVJWTSIMMFWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-5-9-14(4-2)13-19-18(23)16-12-17(22)21(20-16)15-10-7-6-8-11-15/h6-8,10-12,14,20H,3-5,9,13H2,1-2H3,(H,19,23).
What are the key properties of N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 18618961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).