2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid

C15H17N3O3 — CID 65345706

IUPAC2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H17N3O3/c1-9-14(10(2)18(3)17-9)15(21)16-12-6-4-5-11(7-12)8-13(19)20/h4-7H,8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyRVTKUYUYFZBAFX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.92
Rot. Bonds4

About 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid

2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 65345706) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid
PubChem CID65345706
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H17N3O3/c1-9-14(10(2)18(3)17-9)15(21)16-12-6-4-5-11(7-12)8-13(19)20/h4-7H,8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyRVTKUYUYFZBAFX-UHFFFAOYSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(chloromethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 114293235
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-[3-(butanoylamino)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 87026220
N-(3-carbamothioylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742889
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742269
2-fluoro-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 103791455
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
1,3,5-trimethyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide
CID 134053136
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17439489
1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 17434709

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid (CID 65345706) is 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid is Cc1nn(C)c(C)c1C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is RVTKUYUYFZBAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-14(10(2)18(3)17-9)15(21)16-12-6-4-5-11(7-12)8-13(19)20/h4-7H,8H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid?
2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65345706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).