1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea

C19H24N6O2 — CID 118786473

IUPAC1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)N(CCO)Cc2nccn2C)n(-c2ccccc2C)n1
InChIInChI=1S/C19H24N6O2/c1-14-6-4-5-7-16(14)25-17(12-15(2)22-25)21-19(27)24(10-11-26)13-18-20-8-9-23(18)3/h4-9,12,26H,10-11,13H2,1-3H3,(H,21,27)
InChIKeyRJUDICPQTDDMQZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.25
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea

1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea (PubChem CID 118786473) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea
PubChem CID118786473
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)N(CCO)Cc2nccn2C)n(-c2ccccc2C)n1
InChIInChI=1S/C19H24N6O2/c1-14-6-4-5-7-16(14)25-17(12-15(2)22-25)21-19(27)24(10-11-26)13-18-20-8-9-23(18)3/h4-9,12,26H,10-11,13H2,1-3H3,(H,21,27)
InChIKeyRJUDICPQTDDMQZ-UHFFFAOYSA-N
XLogP2.25
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)-1-propylurea
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N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea (CID 118786473) is 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea is Cc1cc(NC(=O)N(CCO)Cc2nccn2C)n(-c2ccccc2C)n1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea?
The InChIKey is RJUDICPQTDDMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-6-4-5-7-16(14)25-17(12-15(2)22-25)21-19(27)24(10-11-26)13-18-20-8-9-23(18)3/h4-9,12,26H,10-11,13H2,1-3H3,(H,21,27).
What are the key properties of 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea?
1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea has a molecular weight of 368.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea is sourced from PubChem (CID 118786473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).