2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine

C9H11N3O — CID 1096902

IUPAC2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine
SMILESCc1ccc(Cn2nccc2N)o1
InChIInChI=1S/C9H11N3O/c1-7-2-3-8(13-7)6-12-9(10)4-5-11-12/h2-5H,6,10H2,1H3
InChIKeyRZODKTCDAKNWFY-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.42
Rot. Bonds2

About 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine

2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine (PubChem CID 1096902) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine
PubChem CID1096902
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine
SMILESCc1ccc(Cn2nccc2N)o1
InChIInChI=1S/C9H11N3O/c1-7-2-3-8(13-7)6-12-9(10)4-5-11-12/h2-5H,6,10H2,1H3
InChIKeyRZODKTCDAKNWFY-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine (CID 1096902) is 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine is Cc1ccc(Cn2nccc2N)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine?
The InChIKey is RZODKTCDAKNWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-2-3-8(13-7)6-12-9(10)4-5-11-12/h2-5H,6,10H2,1H3.
What are the key properties of 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine?
2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine has a molecular weight of 177.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 1096902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).