2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one

C14H12N4O — CID 137084170

IUPAC2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(-c3ccn[nH]3)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H12N4O/c1-9-16-13(8-14(19)17-9)11-4-2-10(3-5-11)12-6-7-15-18-12/h2-8H,1H3,(H,15,18)(H,16,17,19)
InChIKeyIOTNYXTVPWZOJP-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.14
Rot. Bonds2

About 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one

2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one (PubChem CID 137084170) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one
PubChem CID137084170
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(-c3ccn[nH]3)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H12N4O/c1-9-16-13(8-14(19)17-9)11-4-2-10(3-5-11)12-6-7-15-18-12/h2-8H,1H3,(H,15,18)(H,16,17,19)
InChIKeyIOTNYXTVPWZOJP-UHFFFAOYSA-N
XLogP2.14
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one (CID 137084170) is 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(-c3ccn[nH]3)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is IOTNYXTVPWZOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-16-13(8-14(19)17-9)11-4-2-10(3-5-11)12-6-7-15-18-12/h2-8H,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one?
2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 252.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137084170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).