1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea

C15H20N4O — CID 3698434

IUPAC1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea
SMILESCCn1ncc(CN(C)C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C15H20N4O/c1-4-19-12(2)13(10-16-19)11-18(3)15(20)17-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,17,20)
InChIKeyOPXZPJADNJADRN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.88
Rot. Bonds4

About 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea

1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea (PubChem CID 3698434) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea
PubChem CID3698434
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea
SMILESCCn1ncc(CN(C)C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C15H20N4O/c1-4-19-12(2)13(10-16-19)11-18(3)15(20)17-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,17,20)
InChIKeyOPXZPJADNJADRN-UHFFFAOYSA-N
XLogP2.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea
CID 60922077
2-cyclopentyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-phenylacetamide
CID 122131387
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53193511
2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19575088
N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide
CID 122131084
(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
CID 125169618
1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
CID 134799082
2-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623533
2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478701
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea?
The IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea (CID 3698434) is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea is CCn1ncc(CN(C)C(=O)Nc2ccccc2)c1C.
What is the InChIKey of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea?
The InChIKey is OPXZPJADNJADRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19-12(2)13(10-16-19)11-18(3)15(20)17-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,17,20).
What are the key properties of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea?
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea has a molecular weight of 272.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea is sourced from PubChem (CID 3698434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).