6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione

C14H12N4O2 — CID 39847435

IUPAC6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H12N4O2/c1-8-12(13(19)17-14(20)16-8)10-4-2-3-9(7-10)11-5-6-15-18-11/h2-7H,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyAYOQWNPXBKYSFH-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.43
Rot. Bonds2

About 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione (PubChem CID 39847435) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione
PubChem CID39847435
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H12N4O2/c1-8-12(13(19)17-14(20)16-8)10-4-2-3-9(7-10)11-5-6-15-18-11/h2-7H,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyAYOQWNPXBKYSFH-UHFFFAOYSA-N
XLogP1.43
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole
CID 29085232
5-(3-propan-2-ylphenyl)-1H-pyrazole
CID 58101929
2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine
CID 29088820
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol
CID 45231150
3-(1-methylimidazol-2-yl)-6-[3-(1H-pyrazol-5-yl)phenyl]pyridazine
CID 77084371
5-(3,4-dimethylphenyl)-1H-pyrazole
CID 61395014
4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine
CID 63078890
2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one
CID 137084170
5-fluoro-7-[3-(1H-pyrazol-5-yl)phenyl]-2H-isoquinolin-1-one
CID 167973585
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
2-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridine
CID 30877146
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione (CID 39847435) is 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is AYOQWNPXBKYSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-12(13(19)17-14(20)16-8)10-4-2-3-9(7-10)11-5-6-15-18-11/h2-7H,1H3,(H,15,18)(H2,16,17,19,20).
What are the key properties of 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 268.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 39847435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).