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

C15H17N3O6 — CID 119230555

IUPAC2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
SMILESCOc1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc(OC)c1OC
InChIInChI=1S/C15H17N3O6/c1-22-10-6-9(7-11(23-2)14(10)24-3)15(21)16-12-4-5-18(17-12)8-13(19)20/h4-7H,8H2,1-3H3,(H,19,20)(H,16,17,21)
InChIKeyNIQKOXHTDLOAQP-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.25
Rot. Bonds7

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

2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 119230555) has the molecular formula C15H17N3O6 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
PubChem CID119230555
Molecular FormulaC15H17N3O6
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Name2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid
SMILESCOc1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc(OC)c1OC
InChIInChI=1S/C15H17N3O6/c1-22-10-6-9(7-11(23-2)14(10)24-3)15(21)16-12-4-5-18(17-12)8-13(19)20/h4-7H,8H2,1-3H3,(H,19,20)(H,16,17,21)
InChIKeyNIQKOXHTDLOAQP-UHFFFAOYSA-N
XLogP1.25
TPSA111.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231121
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
2-[3-[(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 167878130
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
3,4-dimethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286906
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
2-[3-(1H-indole-5-carbonylamino)pyrazol-1-yl]acetic acid
CID 99599206
2-[3-[[(E)-3-(2-methoxyphenyl)but-2-enoyl]amino]pyrazol-1-yl]acetic acid
CID 99599792
2-[3-[[3-(5-chloro-2-methoxyphenyl)sulfonyl-2H-1,3-benzoxazole-5-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 24762480
2-[3-[[7-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-1,3-benzodioxole-5-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 118738227
3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
CID 171387606
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid (CID 119230555) is 2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid is COc1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc(OC)c1OC.
What is the InChIKey of 2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is NIQKOXHTDLOAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6/c1-22-10-6-9(7-11(23-2)14(10)24-3)15(21)16-12-4-5-18(17-12)8-13(19)20/h4-7H,8H2,1-3H3,(H,19,20)(H,16,17,21).
What are the key properties of 2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 335.32 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).