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

C10H13N3O — CID 62346682

IUPACN-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine
SMILESCCc1ccc(CNc2cn[nH]c2)o1
InChIInChI=1S/C10H13N3O/c1-2-9-3-4-10(14-9)7-11-8-5-12-13-6-8/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyCLYXWCGBHJQWFZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.18
Rot. Bonds4

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

N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine (PubChem CID 62346682) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine
PubChem CID62346682
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine
SMILESCCc1ccc(CNc2cn[nH]c2)o1
InChIInChI=1S/C10H13N3O/c1-2-9-3-4-10(14-9)7-11-8-5-12-13-6-8/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyCLYXWCGBHJQWFZ-UHFFFAOYSA-N
XLogP2.18
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine (CID 62346682) is N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine is CCc1ccc(CNc2cn[nH]c2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine?
The InChIKey is CLYXWCGBHJQWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-9-3-4-10(14-9)7-11-8-5-12-13-6-8/h3-6,11H,2,7H2,1H3,(H,12,13).
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine?
N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine has a molecular weight of 191.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 62346682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).