3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C10H9N3O4 — CID 64528655

IUPAC3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1occc1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H9N3O4/c1-5-6(2-3-17-5)9(14)11-8-4-7(10(15)16)12-13-8/h2-4H,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyCBWDANSJBOAJHJ-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.26
Rot. Bonds3

About 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528655) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528655
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1occc1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H9N3O4/c1-5-6(2-3-17-5)9(14)11-8-4-7(10(15)16)12-13-8/h2-4H,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyCBWDANSJBOAJHJ-UHFFFAOYSA-N
XLogP1.26
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527085
3-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527441
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64529037
3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528072
3-[[2-(furan-2-carbonylamino)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528451
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
CID 64528256
3-[(3-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528441

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64528655) is 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is Cc1occc1C(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is CBWDANSJBOAJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-5-6(2-3-17-5)9(14)11-8-4-7(10(15)16)12-13-8/h2-4H,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).