4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine

C10H13N3O — CID 1096904

IUPAC4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine
SMILESCc1ccc(Cn2ncc(C)c2N)o1
InChIInChI=1S/C10H13N3O/c1-7-5-12-13(10(7)11)6-9-4-3-8(2)14-9/h3-5H,6,11H2,1-2H3
InChIKeyJDJLKJPUOXNOLZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.72
Rot. Bonds2

About 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine

4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine (PubChem CID 1096904) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine
PubChem CID1096904
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine
SMILESCc1ccc(Cn2ncc(C)c2N)o1
InChIInChI=1S/C10H13N3O/c1-7-5-12-13(10(7)11)6-9-4-3-8(2)14-9/h3-5H,6,11H2,1-2H3
InChIKeyJDJLKJPUOXNOLZ-UHFFFAOYSA-N
XLogP1.72
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine (CID 1096904) is 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine is Cc1ccc(Cn2ncc(C)c2N)o1.
What is the InChIKey of 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine?
The InChIKey is JDJLKJPUOXNOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-5-12-13(10(7)11)6-9-4-3-8(2)14-9/h3-5H,6,11H2,1-2H3.
What are the key properties of 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine?
4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine has a molecular weight of 191.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 1096904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).