5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid

C14H17N3O3 — CID 63316834

IUPAC5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid
SMILESCn1ncc2c1CCCC2NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H17N3O3/c1-17-12-4-2-3-11(10(12)8-16-17)15-7-9-5-6-13(20-9)14(18)19/h5-6,8,11,15H,2-4,7H2,1H3,(H,18,19)
InChIKeyIYBXYVADTHPZLA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.88
Rot. Bonds4

About 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid

5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid (PubChem CID 63316834) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid
PubChem CID63316834
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid
SMILESCn1ncc2c1CCCC2NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H17N3O3/c1-17-12-4-2-3-11(10(12)8-16-17)15-7-9-5-6-13(20-9)14(18)19/h5-6,8,11,15H,2-4,7H2,1H3,(H,18,19)
InChIKeyIYBXYVADTHPZLA-UHFFFAOYSA-N
XLogP1.88
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43787465
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435422
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]acetamide
CID 43254668
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
CID 95384675
2,6-dimethyl-4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43435407

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid (CID 63316834) is 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid is Cn1ncc2c1CCCC2NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is IYBXYVADTHPZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-12-4-2-3-11(10(12)8-16-17)15-7-9-5-6-13(20-9)14(18)19/h5-6,8,11,15H,2-4,7H2,1H3,(H,18,19).
What are the key properties of 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid?
5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63316834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).