1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea

C17H24N4O — CID 35520705

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea
SMILESCc1nn(C)cc1CN(C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N4O/c1-12(2)14-6-8-16(9-7-14)18-17(22)20(4)10-15-11-21(5)19-13(15)3/h6-9,11-12H,10H2,1-5H3,(H,18,22)
InChIKeyKXJKLOQKGJCNJP-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.52
Rot. Bonds4

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea

1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea (PubChem CID 35520705) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea
PubChem CID35520705
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea
SMILESCc1nn(C)cc1CN(C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N4O/c1-12(2)14-6-8-16(9-7-14)18-17(22)20(4)10-15-11-21(5)19-13(15)3/h6-9,11-12H,10H2,1-5H3,(H,18,22)
InChIKeyKXJKLOQKGJCNJP-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 22196270
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196298
1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19496540
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 45198535
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989744
1-ethyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 39891547
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63836669
(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
CID 25367831
1-(1,3-dimethylpyrazol-4-yl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 102807086
N-[4-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801382

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea (CID 35520705) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea is Cc1nn(C)cc1CN(C)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea?
The InChIKey is KXJKLOQKGJCNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)14-6-8-16(9-7-14)18-17(22)20(4)10-15-11-21(5)19-13(15)3/h6-9,11-12H,10H2,1-5H3,(H,18,22).
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea has a molecular weight of 300.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 35520705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).