5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid

C13H16N4O4 — CID 115991264

IUPAC5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid
SMILESCc1nn(C)cc1CNC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C13H16N4O4/c1-8-9(7-17(2)16-8)5-14-13(20)15-6-10-3-4-11(21-10)12(18)19/h3-4,7H,5-6H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyRVCOJWUSOJYSTO-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.02
Rot. Bonds5

About 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid

5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid (PubChem CID 115991264) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid
PubChem CID115991264
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid
SMILESCc1nn(C)cc1CNC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C13H16N4O4/c1-8-9(7-17(2)16-8)5-14-13(20)15-6-10-3-4-11(21-10)12(18)19/h3-4,7H,5-6H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyRVCOJWUSOJYSTO-UHFFFAOYSA-N
XLogP1.02
TPSA109.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]methyl]furan-2-carboxylic acid
CID 80684896
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 112671638
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19288518
1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 115991294
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 115991283
2-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 115991254
5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19453151
(2R)-2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103955900
5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246060

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid (CID 115991264) is 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid is Cc1nn(C)cc1CNC(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid?
The InChIKey is RVCOJWUSOJYSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-8-9(7-17(2)16-8)5-14-13(20)15-6-10-3-4-11(21-10)12(18)19/h3-4,7H,5-6H2,1-2H3,(H,18,19)(H2,14,15,20).
What are the key properties of 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid?
5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 115991264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).