1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea

C17H24N4O — CID 60611272

IUPAC1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea
SMILESCc1nn(C(C)C)c(C)c1NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H24N4O/c1-12(2)21-14(4)16(13(3)19-21)18-17(22)20(5)11-15-9-7-6-8-10-15/h6-10,12H,11H2,1-5H3,(H,18,22)
InChIKeyKXUVKKNUNBVNBG-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.74
Rot. Bonds4

About 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea

1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea (PubChem CID 60611272) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea
PubChem CID60611272
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea
SMILESCc1nn(C(C)C)c(C)c1NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H24N4O/c1-12(2)21-14(4)16(13(3)19-21)18-17(22)20(5)11-15-9-7-6-8-10-15/h6-10,12H,11H2,1-5H3,(H,18,22)
InChIKeyKXUVKKNUNBVNBG-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 61101804
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
1-methyl-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 46994368
3-amino-1-benzyl-1-methylurea
CID 43163959
3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid
CID 64895716
(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976178
1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methyl-3-(3-pyridin-3-ylphenyl)urea
CID 72849685
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylurea
CID 122571911
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide
CID 61101805

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea?
The IUPAC name of 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea (CID 60611272) is 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea.
What is the SMILES notation for 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea?
The canonical SMILES for 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea is Cc1nn(C(C)C)c(C)c1NC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea?
The InChIKey is KXUVKKNUNBVNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)21-14(4)16(13(3)19-21)18-17(22)20(5)11-15-9-7-6-8-10-15/h6-10,12H,11H2,1-5H3,(H,18,22).
What are the key properties of 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea?
1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea has a molecular weight of 300.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea is sourced from PubChem (CID 60611272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).