1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea

C17H24N4O — CID 30302557

IUPAC1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-13(2)16(15-8-6-5-7-9-15)19-17(22)20(3)11-14-10-18-21(4)12-14/h5-10,12-13,16H,11H2,1-4H3,(H,19,22)/t16-/m1/s1
InChIKeyAKZASVHCCYZNCJ-MRXNPFEDSA-N
MW300.41 g/mol
LogP2.96
Rot. Bonds5

About 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea

1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 30302557) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID30302557
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-13(2)16(15-8-6-5-7-9-15)19-17(22)20(3)11-14-10-18-21(4)12-14/h5-10,12-13,16H,11H2,1-4H3,(H,19,22)/t16-/m1/s1
InChIKeyAKZASVHCCYZNCJ-MRXNPFEDSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95129803
3-(4-hydroxy-1-phenylbutyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 111456188
3-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 41215402
3,3-dimethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 61439818
3-[1-(2-methoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 75459929
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 95771367
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 95771368
3-[1-(4-ethylsulfanylphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 56825761
N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 51266478
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
(2S)-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61439965
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 30302557) is 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea is CC(C)[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1ccccc1.
What is the InChIKey of 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is AKZASVHCCYZNCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(2)16(15-8-6-5-7-9-15)19-17(22)20(3)11-14-10-18-21(4)12-14/h5-10,12-13,16H,11H2,1-4H3,(H,19,22)/t16-/m1/s1.
What are the key properties of 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?
1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 300.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 30302557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).