2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid

C15H17N3O4 — CID 138002030

IUPAC2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
SMILESCOc1c(C)cc(C(=O)Nc2cnn(CC(=O)O)c2)cc1C
InChIInChI=1S/C15H17N3O4/c1-9-4-11(5-10(2)14(9)22-3)15(21)17-12-6-16-18(7-12)8-13(19)20/h4-7H,8H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyZSPLOODOZWPGOK-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.85
Rot. Bonds5

About 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 138002030) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
PubChem CID138002030
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
SMILESCOc1c(C)cc(C(=O)Nc2cnn(CC(=O)O)c2)cc1C
InChIInChI=1S/C15H17N3O4/c1-9-4-11(5-10(2)14(9)22-3)15(21)17-12-6-16-18(7-12)8-13(19)20/h4-7H,8H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyZSPLOODOZWPGOK-UHFFFAOYSA-N
XLogP1.85
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61019180
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
2-[4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61017722
methyl 2-[4-[(3-hydroxy-4-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 61018238
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019164
N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 126462403
2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500802
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018085

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid (CID 138002030) is 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid is COc1c(C)cc(C(=O)Nc2cnn(CC(=O)O)c2)cc1C.
What is the InChIKey of 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is ZSPLOODOZWPGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9-4-11(5-10(2)14(9)22-3)15(21)17-12-6-16-18(7-12)8-13(19)20/h4-7H,8H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 303.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 138002030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).