1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea

C13H16N4O — CID 108813684

IUPAC1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCc1ccc(CNC(=O)Nc2ccnn2C)cc1
InChIInChI=1S/C13H16N4O/c1-10-3-5-11(6-4-10)9-14-13(18)16-12-7-8-15-17(12)2/h3-8H,9H2,1-2H3,(H2,14,16,18)
InChIKeyXLKVRFNNDZOQBZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.05
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea

1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea (PubChem CID 108813684) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea
PubChem CID108813684
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCc1ccc(CNC(=O)Nc2ccnn2C)cc1
InChIInChI=1S/C13H16N4O/c1-10-3-5-11(6-4-10)9-14-13(18)16-12-7-8-15-17(12)2/h3-8H,9H2,1-2H3,(H2,14,16,18)
InChIKeyXLKVRFNNDZOQBZ-UHFFFAOYSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 108813626
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813713
ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate
CID 108813860
2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 174965768
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N-(2-methylpyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112536624
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373
1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108813745
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea (CID 108813684) is 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea is Cc1ccc(CNC(=O)Nc2ccnn2C)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is XLKVRFNNDZOQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-3-5-11(6-4-10)9-14-13(18)16-12-7-8-15-17(12)2/h3-8H,9H2,1-2H3,(H2,14,16,18).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea?
1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 244.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 108813684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).