1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea

C13H16N4O — CID 108813713

IUPAC1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2ccnn2C)cc1
InChIInChI=1S/C13H16N4O/c1-3-10-4-6-11(7-5-10)15-13(18)16-12-8-9-14-17(12)2/h4-9H,3H2,1-2H3,(H2,15,16,18)
InChIKeyPKCMRPXCLGOBOX-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.63
Rot. Bonds3

About 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea

1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea (PubChem CID 108813713) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea
PubChem CID108813713
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2ccnn2C)cc1
InChIInChI=1S/C13H16N4O/c1-3-10-4-6-11(7-5-10)15-13(18)16-12-8-9-14-17(12)2/h4-9H,3H2,1-2H3,(H2,15,16,18)
InChIKeyPKCMRPXCLGOBOX-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea
CID 108813684
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
4-ethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25048296
1-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550
1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813825

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea (CID 108813713) is 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea is CCc1ccc(NC(=O)Nc2ccnn2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is PKCMRPXCLGOBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-10-4-6-11(7-5-10)15-13(18)16-12-8-9-14-17(12)2/h4-9H,3H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea?
1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 244.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 108813713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).