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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Related Compounds

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CID 2814962
(2R)-N'-[3-(2,2-difluoroethylcarbamoyl)-1-methylpyrazol-5-yl]-2-methyl-N-[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]butanediamide
CID 162759877
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
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3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
N-{4-[1-Oxo-4-(1H-pyrazol-3-ylamino)-1H-phthalazin-2-ylmethyl]phenyl}acetamide
CID 11545541
2-Benzyl-4-(5-methyl-1h-pyrazol-3-ylamino)-2h-phthalazin-1-one
CID 11587983
2-Methyl-4-(5-methyl-1h-pyrazol-3-ylamino)-2h-phthalazin-1-one
CID 11658909
2-Isobutyl-4-(5-methyl-1h-pyrazol-3-ylamino)-2h-phthalazin-1-one
CID 11709165
2-Isopropyl-4-(5-methyl-1h-pyrazol-3-ylamino)-2h-phthalazin-1-one
CID 21106477
1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283623

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).