3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

C17H24N4O2 — CID 111754558

IUPAC3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)N(C)CC(C)(C)O)n1
InChIInChI=1S/C17H24N4O2/c1-12-10-13(2)21(19-12)15-9-7-6-8-14(15)18-16(22)20(5)11-17(3,4)23/h6-10,23H,11H2,1-5H3,(H,18,22)
InChIKeyHYRSHGSSMTXMGY-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.72
Rot. Bonds4

About 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea

3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (PubChem CID 111754558) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
PubChem CID111754558
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)N(C)CC(C)(C)O)n1
InChIInChI=1S/C17H24N4O2/c1-12-10-13(2)21(19-12)15-9-7-6-8-14(15)18-16(22)20(5)11-17(3,4)23/h6-10,23H,11H2,1-5H3,(H,18,22)
InChIKeyHYRSHGSSMTXMGY-UHFFFAOYSA-N
XLogP2.72
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
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
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
CID 47033804
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 56516138
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide
CID 86988542
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 43074030

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea (CID 111754558) is 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea.
What is the SMILES notation for 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The canonical SMILES for 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is Cc1cc(C)n(-c2ccccc2NC(=O)N(C)CC(C)(C)O)n1.
What is the InChIKey of 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The InChIKey is HYRSHGSSMTXMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-10-13(2)21(19-12)15-9-7-6-8-14(15)18-16(22)20(5)11-17(3,4)23/h6-10,23H,11H2,1-5H3,(H,18,22).
What are the key properties of 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea has a molecular weight of 316.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea is sourced from PubChem (CID 111754558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).