[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea

C13H15N5O2 — CID 6267835

IUPAC[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea
SMILESCc1c(/C=N\NC(N)=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C13H15N5O2/c1-9-11(8-15-16-13(14)20)12(19)18(17(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,14,16,20)/b15-8-
InChIKeyNDFYURVVHWVKPJ-NVNXTCNLSA-N
MW273.30 g/mol
LogP0.49
Rot. Bonds3

About [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea

[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea (PubChem CID 6267835) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea
PubChem CID6267835
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea
SMILESCc1c(/C=N\NC(N)=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C13H15N5O2/c1-9-11(8-15-16-13(14)20)12(19)18(17(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,14,16,20)/b15-8-
InChIKeyNDFYURVVHWVKPJ-NVNXTCNLSA-N
XLogP0.49
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperazine-1,4-dicarbothioamide
CID 5470417
N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 4661141
N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide
CID 9058739
[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea
CID 50855920
1,5-dimethyl-4-[[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-2-phenylpyrazol-3-one
CID 6823675
1,5-dimethyl-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-2-phenylpyrazol-3-one
CID 6433853
1-[(Z)-(4-bromophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
CID 5451516
[(E)-benzylideneamino]urea
CID 6861419
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135798596
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea
CID 1180673
[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
N-[(E)-(3-methyl-5-oxo-1,2-diphenylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 92846815

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea (CID 6267835) is [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea is Cc1c(/C=N\NC(N)=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea?
The InChIKey is NDFYURVVHWVKPJ-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-11(8-15-16-13(14)20)12(19)18(17(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H3,14,16,20)/b15-8-.
What are the key properties of [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea?
[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea has a molecular weight of 273.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea is sourced from PubChem (CID 6267835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).