(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea

C11H11N5O2 — CID 137309994

IUPAC(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/C(N)=O
InChIInChI=1S/C11H11N5O2/c1-7-9(13-14-11(12)18)10(17)16(15-7)8-5-3-2-4-6-8/h2-6,15H,1H3,(H2,12,18)/b14-13+
InChIKeyYSOLNWRPAYFGEZ-BUHFOSPRSA-N
MW245.24 g/mol
LogP1.64
Rot. Bonds2

About (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea

(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea (PubChem CID 137309994) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea.

Molecular Properties

Compound Name(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea
PubChem CID137309994
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/C(N)=O
InChIInChI=1S/C11H11N5O2/c1-7-9(13-14-11(12)18)10(17)16(15-7)8-5-3-2-4-6-8/h2-6,15H,1H3,(H2,12,18)/b14-13+
InChIKeyYSOLNWRPAYFGEZ-BUHFOSPRSA-N
XLogP1.64
TPSA105.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 811786
5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)diazenyl]-1H-pyrazol-3-one
CID 748787
prop-2-enyl 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzoate
CID 135719014
4-[(4-ethylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135604011
2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid
CID 542327
trimethyl-[3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]azanium
CID 135800784
(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)iminourea
CID 135888497
5-methyl-2-phenyl-4-[(4-prop-2-enylphenyl)diazenyl]-1H-pyrazol-3-one
CID 135719010
2-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzonitrile
CID 948391
4-(cyclohexa-1,3-dien-1-yldiazenyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 155460008
sodium;chromium;bis(2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-methylsulfonylphenolate)
CID 163360205
[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl] pentanoate
CID 135597731

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea?
The IUPAC name of (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea (CID 137309994) is (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea.
What is the SMILES notation for (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea?
The canonical SMILES for (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea is Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/C(N)=O.
What is the InChIKey of (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea?
The InChIKey is YSOLNWRPAYFGEZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7-9(13-14-11(12)18)10(17)16(15-7)8-5-3-2-4-6-8/h2-6,15H,1H3,(H2,12,18)/b14-13+.
What are the key properties of (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea?
(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea has a molecular weight of 245.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)iminourea is sourced from PubChem (CID 137309994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).