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

C11H15N3O — CID 19626781

IUPAC1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2ccc(C)o2)cn1
InChIInChI=1S/C11H15N3O/c1-3-14-8-10(6-13-14)12-7-11-5-4-9(2)15-11/h4-6,8,12H,3,7H2,1-2H3
InChIKeyNPCLXVGELZUWHC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.42
Rot. Bonds4

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

1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine (PubChem CID 19626781) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
PubChem CID19626781
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2ccc(C)o2)cn1
InChIInChI=1S/C11H15N3O/c1-3-14-8-10(6-13-14)12-7-11-5-4-9(2)15-11/h4-6,8,12H,3,7H2,1-2H3
InChIKeyNPCLXVGELZUWHC-UHFFFAOYSA-N
XLogP2.42
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine (CID 19626781) is 1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine is CCn1cc(NCc2ccc(C)o2)cn1.
What is the InChIKey of 1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The InChIKey is NPCLXVGELZUWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-14-8-10(6-13-14)12-7-11-5-4-9(2)15-11/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine has a molecular weight of 205.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 19626781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).