1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

C16H22N4O — CID 124594257

IUPAC1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(C[C@H](C)NC(=O)Nc2cccc(C)c2C)n[nH]1
InChIInChI=1S/C16H22N4O/c1-10-6-5-7-15(13(10)4)18-16(21)17-11(2)8-14-9-12(3)19-20-14/h5-7,9,11H,8H2,1-4H3,(H,19,20)(H2,17,18,21)/t11-/m0/s1
InChIKeyVOUOWBJEUJMJII-NSHDSACASA-N
MW286.38 g/mol
LogP3.09
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea

1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 124594257) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
PubChem CID124594257
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCc1cc(C[C@H](C)NC(=O)Nc2cccc(C)c2C)n[nH]1
InChIInChI=1S/C16H22N4O/c1-10-6-5-7-15(13(10)4)18-16(21)17-11(2)8-14-9-12(3)19-20-14/h5-7,9,11H,8H2,1-4H3,(H,19,20)(H2,17,18,21)/t11-/m0/s1
InChIKeyVOUOWBJEUJMJII-NSHDSACASA-N
XLogP3.09
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide
CID 131924683
1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea
CID 86799745
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea
CID 99584345
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 124594022
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
CID 99595123
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
CID 70615302
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 91649344
1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99716281
N,N,2-trimethyl-5-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]benzamide
CID 99715690
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 99583562

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 124594257) is 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is Cc1cc(C[C@H](C)NC(=O)Nc2cccc(C)c2C)n[nH]1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The InChIKey is VOUOWBJEUJMJII-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-6-5-7-15(13(10)4)18-16(21)17-11(2)8-14-9-12(3)19-20-14/h5-7,9,11H,8H2,1-4H3,(H,19,20)(H2,17,18,21)/t11-/m0/s1.
What are the key properties of 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 286.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 124594257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).