3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea

C19H23N5O3 — CID 97279827

IUPAC3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea
SMILESCOc1ccc(-c2c(C)nn(C)c2NC(=O)N(C)[C@@H](C)c2ccon2)cc1
InChIInChI=1S/C19H23N5O3/c1-12-17(14-6-8-15(26-5)9-7-14)18(24(4)21-12)20-19(25)23(3)13(2)16-10-11-27-22-16/h6-11,13H,1-5H3,(H,20,25)/t13-/m0/s1
InChIKeyIWKMJAXEHULMEL-ZDUSSCGKSA-N
MW369.43 g/mol
LogP3.62
Rot. Bonds5

About 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea

3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea (PubChem CID 97279827) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea
PubChem CID97279827
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea
SMILESCOc1ccc(-c2c(C)nn(C)c2NC(=O)N(C)[C@@H](C)c2ccon2)cc1
InChIInChI=1S/C19H23N5O3/c1-12-17(14-6-8-15(26-5)9-7-14)18(24(4)21-12)20-19(25)23(3)13(2)16-10-11-27-22-16/h6-11,13H,1-5H3,(H,20,25)/t13-/m0/s1
InChIKeyIWKMJAXEHULMEL-ZDUSSCGKSA-N
XLogP3.62
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide
CID 134710429
N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide
CID 72889378
1-methyl-1-[1-(1,2-oxazol-3-yl)ethyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea
CID 72906344
N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-methylimidazol-1-yl)acetamide
CID 134704405
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide
CID 56536116
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742
5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 58962984
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-3-(4-fluorophenoxy)propanamide
CID 56573561
(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95874612
2-[(4-methoxyphenyl)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24790227
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 56536068

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea?
The IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea (CID 97279827) is 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea is COc1ccc(-c2c(C)nn(C)c2NC(=O)N(C)[C@@H](C)c2ccon2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea?
The InChIKey is IWKMJAXEHULMEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-17(14-6-8-15(26-5)9-7-14)18(24(4)21-12)20-19(25)23(3)13(2)16-10-11-27-22-16/h6-11,13H,1-5H3,(H,20,25)/t13-/m0/s1.
What are the key properties of 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea?
3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea has a molecular weight of 369.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea is sourced from PubChem (CID 97279827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).