1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea

C19H24N6O2 — CID 118770907

IUPAC1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea
SMILESCCC(C)n1nc(C)cc1NC(=O)NCCn1ncc2ccccc2c1=O
InChIInChI=1S/C19H24N6O2/c1-4-14(3)25-17(11-13(2)23-25)22-19(27)20-9-10-24-18(26)16-8-6-5-7-15(16)12-21-24/h5-8,11-12,14H,4,9-10H2,1-3H3,(H2,20,22,27)
InChIKeyHIGJNGPDRIPTPS-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.69
Rot. Bonds6

About 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea

1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea (PubChem CID 118770907) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea
PubChem CID118770907
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea
SMILESCCC(C)n1nc(C)cc1NC(=O)NCCn1ncc2ccccc2c1=O
InChIInChI=1S/C19H24N6O2/c1-4-14(3)25-17(11-13(2)23-25)22-19(27)20-9-10-24-18(26)16-8-6-5-7-15(16)12-21-24/h5-8,11-12,14H,4,9-10H2,1-3H3,(H2,20,22,27)
InChIKeyHIGJNGPDRIPTPS-UHFFFAOYSA-N
XLogP2.69
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea?
The IUPAC name of 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea (CID 118770907) is 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea is CCC(C)n1nc(C)cc1NC(=O)NCCn1ncc2ccccc2c1=O.
What is the InChIKey of 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea?
The InChIKey is HIGJNGPDRIPTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-4-14(3)25-17(11-13(2)23-25)22-19(27)20-9-10-24-18(26)16-8-6-5-7-15(16)12-21-24/h5-8,11-12,14H,4,9-10H2,1-3H3,(H2,20,22,27).
What are the key properties of 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea?
1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea has a molecular weight of 368.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea is sourced from PubChem (CID 118770907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).