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

C14H12N4O — CID 59186952

IUPAC4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1ncccc1-c1c[nH]n(-c2ccccn2)c1=O
InChIInChI=1S/C14H12N4O/c1-10-11(5-4-8-15-10)12-9-17-18(14(12)19)13-6-2-3-7-16-13/h2-9,17H,1H3
InChIKeyMFHPFKHGHQQNFQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.93
Rot. Bonds2

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

4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 59186952) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID59186952
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1ncccc1-c1c[nH]n(-c2ccccn2)c1=O
InChIInChI=1S/C14H12N4O/c1-10-11(5-4-8-15-10)12-9-17-18(14(12)19)13-6-2-3-7-16-13/h2-9,17H,1H3
InChIKeyMFHPFKHGHQQNFQ-UHFFFAOYSA-N
XLogP1.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one (CID 59186952) is 4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one is Cc1ncccc1-c1c[nH]n(-c2ccccn2)c1=O.
What is the InChIKey of 4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is MFHPFKHGHQQNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10-11(5-4-8-15-10)12-9-17-18(14(12)19)13-6-2-3-7-16-13/h2-9,17H,1H3.
What are the key properties of 4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one?
4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 252.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 59186952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).