3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea

C17H24N4O — CID 138995501

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)N(C)C(=O)NCc2cc(C)nn2C)cc1
InChIInChI=1S/C17H24N4O/c1-12-6-8-15(9-7-12)14(3)20(4)17(22)18-11-16-10-13(2)19-21(16)5/h6-10,14H,11H2,1-5H3,(H,18,22)
InChIKeyVCRDMWPGCXHWJA-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.94
Rot. Bonds4

About 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea

3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea (PubChem CID 138995501) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
PubChem CID138995501
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)N(C)C(=O)NCc2cc(C)nn2C)cc1
InChIInChI=1S/C17H24N4O/c1-12-6-8-15(9-7-12)14(3)20(4)17(22)18-11-16-10-13(2)19-21(16)5/h6-10,14H,11H2,1-5H3,(H,18,22)
InChIKeyVCRDMWPGCXHWJA-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83121189
3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 136577380
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 86993906
1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
CID 78886133
N-[[4-[[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]amino]phenyl]methyl]acetamide
CID 71931370
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea (CID 138995501) is 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea is Cc1ccc(C(C)N(C)C(=O)NCc2cc(C)nn2C)cc1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is VCRDMWPGCXHWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-6-8-15(9-7-12)14(3)20(4)17(22)18-11-16-10-13(2)19-21(16)5/h6-10,14H,11H2,1-5H3,(H,18,22).
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea?
3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 300.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 138995501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).