2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid

C15H17N3O3 — CID 119171995

IUPAC2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
SMILESCc1c(C(=O)N(C)CC(=O)O)cnn1Cc1ccccc1
InChIInChI=1S/C15H17N3O3/c1-11-13(15(21)17(2)10-14(19)20)8-16-18(11)9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,19,20)
InChIKeyDUDFFJLRYUAVFO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.40
Rot. Bonds5

About 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid

2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid (PubChem CID 119171995) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
PubChem CID119171995
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
SMILESCc1c(C(=O)N(C)CC(=O)O)cnn1Cc1ccccc1
InChIInChI=1S/C15H17N3O3/c1-11-13(15(21)17(2)10-14(19)20)8-16-18(11)9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,19,20)
InChIKeyDUDFFJLRYUAVFO-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-benzyl-5-methylpyrazole-4-carbonyl)-ethylamino]propanoic acid
CID 119191117
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
1-benzyl-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide
CID 22267704
2-[(1-benzyl-5-ethylpyrazole-4-carbonyl)-ethylamino]acetic acid
CID 120519737
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 86848638
N-[(1S)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-1-benzyl-N,5-dimethylpyrazole-4-carboxamide
CID 97260205
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
N-[1-(1-benzyl-5-methylpyrazol-4-yl)ethylidene]hydroxylamine
CID 131135178
N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 86897660
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid (CID 119171995) is 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid is Cc1c(C(=O)N(C)CC(=O)O)cnn1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid?
The InChIKey is DUDFFJLRYUAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-13(15(21)17(2)10-14(19)20)8-16-18(11)9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid?
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 119171995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).