1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea

C19H24N6O3 — CID 118762250

IUPAC1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccc(Cn2nc(C)cc2NC(=O)NCc2nccn2C)cc1OC
InChIInChI=1S/C19H24N6O3/c1-13-9-17(22-19(26)21-11-18-20-7-8-24(18)2)25(23-13)12-14-5-6-15(27-3)16(10-14)28-4/h5-10H,11-12H2,1-4H3,(H2,21,22,26)
InChIKeyDDWAJCFYERDFFW-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.31
Rot. Bonds7

About 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea

1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 118762250) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID118762250
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCOc1ccc(Cn2nc(C)cc2NC(=O)NCc2nccn2C)cc1OC
InChIInChI=1S/C19H24N6O3/c1-13-9-17(22-19(26)21-11-18-20-7-8-24(18)2)25(23-13)12-14-5-6-15(27-3)16(10-14)28-4/h5-10H,11-12H2,1-4H3,(H2,21,22,26)
InChIKeyDDWAJCFYERDFFW-UHFFFAOYSA-N
XLogP2.31
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea (CID 118762250) is 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea is COc1ccc(Cn2nc(C)cc2NC(=O)NCc2nccn2C)cc1OC.
What is the InChIKey of 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is DDWAJCFYERDFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-13-9-17(22-19(26)21-11-18-20-7-8-24(18)2)25(23-13)12-14-5-6-15(27-3)16(10-14)28-4/h5-10H,11-12H2,1-4H3,(H2,21,22,26).
What are the key properties of 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea?
1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 384.44 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 118762250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).