furan-2-yl-(2-methylpyrazol-3-yl)methanamine

C9H11N3O — CID 63962037

IUPACfuran-2-yl-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1ccco1
InChIInChI=1S/C9H11N3O/c1-12-7(4-5-11-12)9(10)8-3-2-6-13-8/h2-6,9H,10H2,1H3
InChIKeyXFHXKBIYHRNLRG-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.06
Rot. Bonds2

About furan-2-yl-(2-methylpyrazol-3-yl)methanamine

furan-2-yl-(2-methylpyrazol-3-yl)methanamine (PubChem CID 63962037) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is furan-2-yl-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Namefuran-2-yl-(2-methylpyrazol-3-yl)methanamine
PubChem CID63962037
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Namefuran-2-yl-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1ccco1
InChIInChI=1S/C9H11N3O/c1-12-7(4-5-11-12)9(10)8-3-2-6-13-8/h2-6,9H,10H2,1H3
InChIKeyXFHXKBIYHRNLRG-UHFFFAOYSA-N
XLogP1.06
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757976
(2-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105148585
furan-2-yl(pyrimidin-2-yl)methanamine
CID 63949375
[2-(furan-2-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105331466
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106758771
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062
(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963313
(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 107503143
(4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine
CID 127016563
(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine
CID 115858788
[3-(furan-2-yl)-1-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 105307383

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of furan-2-yl-(2-methylpyrazol-3-yl)methanamine (CID 63962037) is furan-2-yl-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for furan-2-yl-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for furan-2-yl-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)c1ccco1.
What is the InChIKey of furan-2-yl-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is XFHXKBIYHRNLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12-7(4-5-11-12)9(10)8-3-2-6-13-8/h2-6,9H,10H2,1H3.
What are the key properties of furan-2-yl-(2-methylpyrazol-3-yl)methanamine?
furan-2-yl-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 177.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63962037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).