5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine

C9H11N3O — CID 42873908

IUPAC5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine
SMILESCc1ccc(-c2n[nH]c(C)c2N)o1
InChIInChI=1S/C9H11N3O/c1-5-3-4-7(13-5)9-8(10)6(2)11-12-9/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyCPOZTLBSOYXLBX-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.87
Rot. Bonds1

About 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine

5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine (PubChem CID 42873908) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine
PubChem CID42873908
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine
SMILESCc1ccc(-c2n[nH]c(C)c2N)o1
InChIInChI=1S/C9H11N3O/c1-5-3-4-7(13-5)9-8(10)6(2)11-12-9/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyCPOZTLBSOYXLBX-UHFFFAOYSA-N
XLogP1.87
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine (CID 42873908) is 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine is Cc1ccc(-c2n[nH]c(C)c2N)o1.
What is the InChIKey of 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine?
The InChIKey is CPOZTLBSOYXLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-3-4-7(13-5)9-8(10)6(2)11-12-9/h3-4H,10H2,1-2H3,(H,11,12).
What are the key properties of 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine?
5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine has a molecular weight of 177.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 42873908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).