1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine

C12H17N3O — CID 19626820

IUPAC1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2ccc(C)o2)c(C)n1
InChIInChI=1S/C12H17N3O/c1-4-15-8-12(10(3)14-15)13-7-11-6-5-9(2)16-11/h5-6,8,13H,4,7H2,1-3H3
InChIKeyVUCDVOYDEVECQH-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.72
Rot. Bonds4

About 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine

1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine (PubChem CID 19626820) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
PubChem CID19626820
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2ccc(C)o2)c(C)n1
InChIInChI=1S/C12H17N3O/c1-4-15-8-12(10(3)14-15)13-7-11-6-5-9(2)16-11/h5-6,8,13H,4,7H2,1-3H3
InChIKeyVUCDVOYDEVECQH-UHFFFAOYSA-N
XLogP2.72
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine (CID 19626820) is 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine is CCn1cc(NCc2ccc(C)o2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
The InChIKey is VUCDVOYDEVECQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-15-8-12(10(3)14-15)13-7-11-6-5-9(2)16-11/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine?
1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine has a molecular weight of 219.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 19626820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).