1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea

C13H16N4O — CID 104620407

IUPAC1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
SMILESCCc1cc(NC(=O)Nc2ccc(C)cc2)n[nH]1
InChIInChI=1S/C13H16N4O/c1-3-10-8-12(17-16-10)15-13(18)14-11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyKRBKXXLBYTVCBO-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.92
Rot. Bonds3

About 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea

1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea (PubChem CID 104620407) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
PubChem CID104620407
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
SMILESCCc1cc(NC(=O)Nc2ccc(C)cc2)n[nH]1
InChIInChI=1S/C13H16N4O/c1-3-10-8-12(17-16-10)15-13(18)14-11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyKRBKXXLBYTVCBO-UHFFFAOYSA-N
XLogP2.92
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620378
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 166286412
N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
CID 63820246
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
CID 113259455
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
CID 104620385

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea (CID 104620407) is 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea is CCc1cc(NC(=O)Nc2ccc(C)cc2)n[nH]1.
What is the InChIKey of 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
The InChIKey is KRBKXXLBYTVCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-10-8-12(17-16-10)15-13(18)14-11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea has a molecular weight of 244.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 104620407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).