3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid

C11H13N3O3 — CID 103256805

IUPAC3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNc2ccn(C)n2)oc1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-7-5-8(17-10(7)11(15)16)6-12-9-3-4-14(2)13-9/h3-5H,6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyMAKNCQWUDMZJRV-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.63
Rot. Bonds4

About 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid

3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid (PubChem CID 103256805) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid
PubChem CID103256805
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CNc2ccn(C)n2)oc1C(=O)O
InChIInChI=1S/C11H13N3O3/c1-7-5-8(17-10(7)11(15)16)6-12-9-3-4-14(2)13-9/h3-5H,6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyMAKNCQWUDMZJRV-UHFFFAOYSA-N
XLogP1.63
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
5-[(5-bromo-2-methylanilino)methyl]-3-methylfuran-2-carboxylic acid
CID 103239510
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrazol-3-amine
CID 115711122
3-methyl-5-[(2,3,4-trifluoroanilino)methyl]furan-2-carboxylic acid
CID 103232788
5-[(2,2-dimethylbutylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103462758
3-methyl-5-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid
CID 103231536
2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 103256802
3-methyl-5-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103268845
3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
CID 43620929
6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904796
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 106149092
5-[(4-bromo-2,3-dichloroanilino)methyl]-3-methylfuran-2-carboxylic acid
CID 107791313

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid (CID 103256805) is 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid is Cc1cc(CNc2ccn(C)n2)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is MAKNCQWUDMZJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-5-8(17-10(7)11(15)16)6-12-9-3-4-14(2)13-9/h3-5H,6H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid?
3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103256805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).