3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid

C20H25N3O3 — CID 122107757

IUPAC3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C20H25N3O3/c1-14(20(25)26)13-22(2)19(24)17-12-21-23(16-10-6-7-11-16)18(17)15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,6-7,10-11,13H2,1-2H3,(H,25,26)
InChIKeyYMNVMDLWRLMYRR-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.46
Rot. Bonds6

About 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 122107757) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID122107757
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C20H25N3O3/c1-14(20(25)26)13-22(2)19(24)17-12-21-23(16-10-6-7-11-16)18(17)15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,6-7,10-11,13H2,1-2H3,(H,25,26)
InChIKeyYMNVMDLWRLMYRR-UHFFFAOYSA-N
XLogP3.46
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid
CID 122108945
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 122107208
(E)-2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]hex-4-enoic acid
CID 122108687
2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 122108850
2-methyl-3-[methyl-(2-methyl-6-phenylpyridine-3-carbonyl)amino]propanoic acid
CID 120524243
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069
2-methyl-3-[methyl-[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 120524169
3-[(1-butyl-5-methylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122111425
3-[(4-hydroxy-4-phenylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122009970
1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125103
2-methyl-3-[methyl-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]amino]propanoic acid
CID 122074817
3-[(2-benzylcyclopentyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122002977

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid (CID 122107757) is 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)O.
What is the InChIKey of 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is YMNVMDLWRLMYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(20(25)26)13-22(2)19(24)17-12-21-23(16-10-6-7-11-16)18(17)15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,6-7,10-11,13H2,1-2H3,(H,25,26).
What are the key properties of 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 355.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122107757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).