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

C19H28N4O — CID 75442034

IUPAC3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea
SMILESCCc1nn(C)cc1NC(=O)N(C)CC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C19H28N4O/c1-7-16-17(12-23(6)21-16)20-18(24)22(5)13-19(3,4)15-10-8-14(2)9-11-15/h8-12H,7,13H2,1-6H3,(H,20,24)
InChIKeyWKDZLMBMCUTLDQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.73
Rot. Bonds5

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

3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea (PubChem CID 75442034) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea
PubChem CID75442034
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea
SMILESCCc1nn(C)cc1NC(=O)N(C)CC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C19H28N4O/c1-7-16-17(12-23(6)21-16)20-18(24)22(5)13-19(3,4)15-10-8-14(2)9-11-15/h8-12H,7,13H2,1-6H3,(H,20,24)
InChIKeyWKDZLMBMCUTLDQ-UHFFFAOYSA-N
XLogP3.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(4-methylphenyl)acetamide
CID 107462786
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid
CID 107464104
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
CID 107464719
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107464409
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 107464100
3-(1,3-dimethylpyrazol-4-yl)-1-methyl-1-[2-(4-methylphenyl)sulfanylethyl]urea
CID 72885623
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 107464162
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide
CID 138992151
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea (CID 75442034) is 3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea is CCc1nn(C)cc1NC(=O)N(C)CC(C)(C)c1ccc(C)cc1.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea?
The InChIKey is WKDZLMBMCUTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-7-16-17(12-23(6)21-16)20-18(24)22(5)13-19(3,4)15-10-8-14(2)9-11-15/h8-12H,7,13H2,1-6H3,(H,20,24).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea?
3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea has a molecular weight of 328.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-4-yl)-1-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 75442034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).