3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide

C15H19N3O2 — CID 175760291

IUPAC3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide
SMILESCc1c(OCC(C)C(N)=O)nn(C)c1-c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10(14(16)19)9-20-15-11(2)13(18(3)17-15)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,16,19)
InChIKeyVTGLZTILMYVSQW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds5

About 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide

3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide (PubChem CID 175760291) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide.

Molecular Properties

Compound Name3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide
PubChem CID175760291
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide
SMILESCc1c(OCC(C)C(N)=O)nn(C)c1-c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10(14(16)19)9-20-15-11(2)13(18(3)17-15)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,16,19)
InChIKeyVTGLZTILMYVSQW-UHFFFAOYSA-N
XLogP1.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 71041411
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
3-(3-amino-2-methylphenoxy)-2-methylpropanamide
CID 43437797
tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 131749930
methyl 1,3-dimethyl-5-phenylpyrazole-4-carboxylate
CID 22831861
3-[8-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxydibenzofuran-2-yl]oxy-1,4-dimethyl-5-phenylpyrazole
CID 153433483
ethyl 5-phenyl-1-propan-2-yltriazole-4-carboxylate
CID 103104608
3-(3-amino-2-methyl-3-oxopropoxy)-4-methylbenzoic acid
CID 61379968
5-chloro-6-(difluoromethyl)-N-[2-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxyethyl]pyrimidin-4-amine;hydroperoxy-oxido-oxophosphanium;molecular hydrogen
CID 159539225
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide?
The IUPAC name of 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide (CID 175760291) is 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide.
What is the SMILES notation for 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide?
The canonical SMILES for 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide is Cc1c(OCC(C)C(N)=O)nn(C)c1-c1ccccc1.
What is the InChIKey of 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide?
The InChIKey is VTGLZTILMYVSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(14(16)19)9-20-15-11(2)13(18(3)17-15)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,16,19).
What are the key properties of 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide?
3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-5-phenylpyrazol-3-yl)oxy-2-methylpropanamide is sourced from PubChem (CID 175760291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).