5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one

C13H13N5O — CID 106714976

IUPAC5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one
SMILESCc1ccnc(N2N=C(c3cnn(C)c3)CC2=O)c1
InChIInChI=1S/C13H13N5O/c1-9-3-4-14-12(5-9)18-13(19)6-11(16-18)10-7-15-17(2)8-10/h3-5,7-8H,6H2,1-2H3
InChIKeyLCMXTFHZLJBDLE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.26
Rot. Bonds2

About 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one

5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one (PubChem CID 106714976) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one
PubChem CID106714976
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one
SMILESCc1ccnc(N2N=C(c3cnn(C)c3)CC2=O)c1
InChIInChI=1S/C13H13N5O/c1-9-3-4-14-12(5-9)18-13(19)6-11(16-18)10-7-15-17(2)8-10/h3-5,7-8H,6H2,1-2H3
InChIKeyLCMXTFHZLJBDLE-UHFFFAOYSA-N
XLogP1.26
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106715009
2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714963
2-[(3-methylphenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714990
2-(2-amino-4-chlorophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106715493
2-[(3-bromophenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714997
2-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714991
2-(3-methylbutyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714974
2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714970
2-cyclohexyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714969
2-[(3-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714994
1-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183869
5-methyl-2-(4-methyl-2-pyridinyl)-4-propan-2-yl-4H-pyrazol-3-one
CID 62914024

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one (CID 106714976) is 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one is Cc1ccnc(N2N=C(c3cnn(C)c3)CC2=O)c1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one?
The InChIKey is LCMXTFHZLJBDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-3-4-14-12(5-9)18-13(19)6-11(16-18)10-7-15-17(2)8-10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one?
5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one has a molecular weight of 255.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one is sourced from PubChem (CID 106714976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).