3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid

C13H13N3O4 — CID 64528247

IUPAC3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCOCc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H13N3O4/c1-20-7-8-2-4-9(5-3-8)12(17)14-11-6-10(13(18)19)15-16-11/h2-6H,7H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyFNKMYCBBVWOGSE-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.51
Rot. Bonds5

About 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528247) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528247
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCOCc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H13N3O4/c1-20-7-8-2-4-9(5-3-8)12(17)14-11-6-10(13(18)19)15-16-11/h2-6H,7H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyFNKMYCBBVWOGSE-UHFFFAOYSA-N
XLogP1.51
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide
CID 47423292
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527065
3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528846
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
methyl 3-[(3-acetamido-1H-pyrazole-5-carbonyl)amino]-1H-pyrazole-5-carboxylate
CID 12073867
3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid
CID 64527660
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526690

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64528247) is 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid is COCc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)cc1.
What is the InChIKey of 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is FNKMYCBBVWOGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-20-7-8-2-4-9(5-3-8)12(17)14-11-6-10(13(18)19)15-16-11/h2-6H,7H2,1H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).