2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one

C21H24N4O — CID 89378119

IUPAC2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
SMILESC=C(Nc1ccc(-n2[nH]c(C)cc2=O)nc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24N4O/c1-14-12-20(26)25(24-14)19-11-10-18(13-22-19)23-15(2)16-6-8-17(9-7-16)21(3,4)5/h6-13,23-24H,2H2,1,3-5H3
InChIKeyOFAASHQAZJJFCP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.25
Rot. Bonds4

About 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one

2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 89378119) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
PubChem CID89378119
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
SMILESC=C(Nc1ccc(-n2[nH]c(C)cc2=O)nc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H24N4O/c1-14-12-20(26)25(24-14)19-11-10-18(13-22-19)23-15(2)16-6-8-17(9-7-16)21(3,4)5/h6-13,23-24H,2H2,1,3-5H3
InChIKeyOFAASHQAZJJFCP-UHFFFAOYSA-N
XLogP4.25
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide
CID 59407031
6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide
CID 71766017
N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide
CID 148829808
2-(5-bromo-2-pyridinyl)-5-tert-butyl-1H-pyrazol-3-one
CID 66022773
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
2,2,2-trifluoro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]acetamide
CID 54194788
5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021883
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-sulfobenzoic acid
CID 21407676
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
CID 58621230
N-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-tert-butylbenzamide
CID 42856918

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one (CID 89378119) is 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one is C=C(Nc1ccc(-n2[nH]c(C)cc2=O)nc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is OFAASHQAZJJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-12-20(26)25(24-14)19-11-10-18(13-22-19)23-15(2)16-6-8-17(9-7-16)21(3,4)5/h6-13,23-24H,2H2,1,3-5H3.
What are the key properties of 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 348.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 89378119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).