3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea

C19H20N4O2 — CID 2945312

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea
SMILESCc1c(NC(=O)N(C)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H20N4O2/c1-14-17(20-19(25)21(2)15-10-6-4-7-11-15)18(24)23(22(14)3)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,20,25)
InChIKeyGLRJAYODXPDRPO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.15
Rot. Bonds3

About 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea (PubChem CID 2945312) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea
PubChem CID2945312
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea
SMILESCc1c(NC(=O)N(C)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H20N4O2/c1-14-17(20-19(25)21(2)15-10-6-4-7-11-15)18(24)23(22(14)3)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,20,25)
InChIKeyGLRJAYODXPDRPO-UHFFFAOYSA-N
XLogP3.15
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Aminopyrine
CID 6009
Methylaminoantipyrine
CID 10618
4-Aminoantipyrine
CID 2151
Ramifenazone
CID 5037
4-Acetylaminoantipyrine
CID 65743
4-(Formylamino)antipyrine
CID 72666
Bisfenazone
CID 189866
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
CID 903616
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(dimethylamino)propanamide
CID 107150
3-(4-Chlorophenyl)-1-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
CID 24776341
1-(2,4-difluorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 2211632
2-Butenenitrile, 3-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-ylamino)-
CID 5364915

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea (CID 2945312) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea is Cc1c(NC(=O)N(C)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea?
The InChIKey is GLRJAYODXPDRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-17(20-19(25)21(2)15-10-6-4-7-11-15)18(24)23(22(14)3)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,20,25).
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea has a molecular weight of 336.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea is sourced from PubChem (CID 2945312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).