N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine

C11H15N3O — CID 62346496

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCCc1ccc(CNc2cnn(C)c2)o1
InChIInChI=1S/C11H15N3O/c1-3-10-4-5-11(15-10)7-12-9-6-13-14(2)8-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyWMPVVIYBUNEPRC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.19
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine

N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine (PubChem CID 62346496) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine
PubChem CID62346496
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCCc1ccc(CNc2cnn(C)c2)o1
InChIInChI=1S/C11H15N3O/c1-3-10-4-5-11(15-10)7-12-9-6-13-14(2)8-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyWMPVVIYBUNEPRC-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine (CID 62346496) is N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine is CCc1ccc(CNc2cnn(C)c2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is WMPVVIYBUNEPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-10-4-5-11(15-10)7-12-9-6-13-14(2)8-9/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine?
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 205.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 62346496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).