1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione

C18H20N4O2 — CID 167750829

IUPAC1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(-c2c(C3CC3)cnn2C)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C18H20N4O2/c1-11-3-4-13(17-14(12-5-6-12)10-19-21(17)2)9-15(11)22-8-7-16(23)20-18(22)24/h3-4,9-10,12H,5-8H2,1-2H3,(H,20,23,24)
InChIKeyUJPXNKCHMQIPMR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.72
Rot. Bonds3

About 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione

1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione (PubChem CID 167750829) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
PubChem CID167750829
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(-c2c(C3CC3)cnn2C)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C18H20N4O2/c1-11-3-4-13(17-14(12-5-6-12)10-19-21(17)2)9-15(11)22-8-7-16(23)20-18(22)24/h3-4,9-10,12H,5-8H2,1-2H3,(H,20,23,24)
InChIKeyUJPXNKCHMQIPMR-UHFFFAOYSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562093
1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
CID 167826358
1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 171705611
1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
CID 79777830
1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167913987
1-(3-cyclopropyl-1-methylindol-5-yl)-1,3-diazinane-2,4-dione;molecular hydrogen
CID 176562721
1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
CID 156858667
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 175658269
1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170931697
1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 155261434
1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
CID 154953984

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione (CID 167750829) is 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione is Cc1ccc(-c2c(C3CC3)cnn2C)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione?
The InChIKey is UJPXNKCHMQIPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-3-4-13(17-14(12-5-6-12)10-19-21(17)2)9-15(11)22-8-7-16(23)20-18(22)24/h3-4,9-10,12H,5-8H2,1-2H3,(H,20,23,24).
What are the key properties of 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione?
1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione has a molecular weight of 324.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167750829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).