3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid

C15H17N3O3 — CID 120525069

IUPAC3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cnn(C)c1-c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-17(9-8-13(19)20)15(21)12-10-16-18(2)14(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyMHUSIQYBAVGAEL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.63
Rot. Bonds5

About 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid

3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 120525069) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID120525069
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cnn(C)c1-c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-17(9-8-13(19)20)15(21)12-10-16-18(2)14(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,20)
InChIKeyMHUSIQYBAVGAEL-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide
CID 166198818
N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide
CID 97334506
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
2,2-dimethyl-3-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120528001
N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
CID 155551859
3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 119362192
4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 120528638
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
3-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119232427
methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate
CID 61242474
3-[[1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119233151

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid (CID 120525069) is 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1cnn(C)c1-c1ccccc1.
What is the InChIKey of 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is MHUSIQYBAVGAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17(9-8-13(19)20)15(21)12-10-16-18(2)14(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid?
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120525069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).