2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one

C12H16N4O — CID 165438239

IUPAC2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2cncc(N)c2)C(=O)C1C(C)C
InChIInChI=1S/C12H16N4O/c1-7(2)11-8(3)15-16(12(11)17)10-4-9(13)5-14-6-10/h4-7,11H,13H2,1-3H3
InChIKeyUXUUSRPDLXUAMI-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.66
Rot. Bonds2

About 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one

2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one (PubChem CID 165438239) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
PubChem CID165438239
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC1=NN(c2cncc(N)c2)C(=O)C1C(C)C
InChIInChI=1S/C12H16N4O/c1-7(2)11-8(3)15-16(12(11)17)10-4-9(13)5-14-6-10/h4-7,11H,13H2,1-3H3
InChIKeyUXUUSRPDLXUAMI-UHFFFAOYSA-N
XLogP1.66
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-pyridinyl)-4-fluoro-5-methyl-4H-pyrazol-3-one
CID 131583506
2-(2-amino-4-chlorophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 62914762
5-methyl-4-propan-2-yl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 62916033
5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one
CID 62914024
2-(2-bromophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 62913282
2-(3-aminophenyl)-4,5-dimethyl-4H-pyrazol-3-one
CID 60996104
5-(3-propan-2-ylpyrrolidin-1-yl)pyridin-3-amine
CID 104535877
5-methyl-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-(3-methylphenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 139839318
(4R)-5-methyl-4-[[(4R)-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-phenylmethyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 98152479
(4R)-4-[bis[4-(dimethylamino)phenyl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 51563584
2-(2-chlorophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one;2-(2-chlorophenyl)-4-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 160575452
(4S)-4-[(2-hydroxyphenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124807573

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one (CID 165438239) is 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one is CC1=NN(c2cncc(N)c2)C(=O)C1C(C)C.
What is the InChIKey of 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is UXUUSRPDLXUAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7(2)11-8(3)15-16(12(11)17)10-4-9(13)5-14-6-10/h4-7,11H,13H2,1-3H3.
What are the key properties of 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one?
2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 232.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-pyridinyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 165438239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).