1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea

C20H24N6O — CID 72870768

IUPAC1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)N(Cc2nccn2C)C2CC2)n1
InChIInChI=1S/C20H24N6O/c1-14-12-15(2)26(23-14)18-7-5-4-6-17(18)22-20(27)25(16-8-9-16)13-19-21-10-11-24(19)3/h4-7,10-12,16H,8-9,13H2,1-3H3,(H,22,27)
InChIKeyQRECUTCRJFRVQV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.42
Rot. Bonds5

About 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea

1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 72870768) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID72870768
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)N(Cc2nccn2C)C2CC2)n1
InChIInChI=1S/C20H24N6O/c1-14-12-15(2)26(23-14)18-7-5-4-6-17(18)22-20(27)25(16-8-9-16)13-19-21-10-11-24(19)3/h4-7,10-12,16H,8-9,13H2,1-3H3,(H,22,27)
InChIKeyQRECUTCRJFRVQV-UHFFFAOYSA-N
XLogP3.42
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95597649
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
3-(3-cyclopentyloxyphenyl)-1-cyclopropyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 118771978
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104605
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea
CID 118786473
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea (CID 72870768) is 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea is Cc1cc(C)n(-c2ccccc2NC(=O)N(Cc2nccn2C)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is QRECUTCRJFRVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-12-15(2)26(23-14)18-7-5-4-6-17(18)22-20(27)25(16-8-9-16)13-19-21-10-11-24(19)3/h4-7,10-12,16H,8-9,13H2,1-3H3,(H,22,27).
What are the key properties of 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea?
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 364.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 72870768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).