2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid

C19H17N3O4 — CID 1287692

IUPAC2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)O)c1
InChIInChI=1S/C19H17N3O4/c1-26-15-9-5-6-13(10-15)18-16(19(25)20-11-17(23)24)12-22(21-18)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,20,25)(H,23,24)
InChIKeySNINKFAWZKPEOY-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.36
Rot. Bonds6

About 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid

2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid (PubChem CID 1287692) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid
PubChem CID1287692
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)O)c1
InChIInChI=1S/C19H17N3O4/c1-26-15-9-5-6-13(10-15)18-16(19(25)20-11-17(23)24)12-22(21-18)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,20,25)(H,23,24)
InChIKeySNINKFAWZKPEOY-UHFFFAOYSA-N
XLogP2.36
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid (CID 1287692) is 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid?
The InChIKey is SNINKFAWZKPEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-26-15-9-5-6-13(10-15)18-16(19(25)20-11-17(23)24)12-22(21-18)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid?
2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid has a molecular weight of 351.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 1287692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).