N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine

C17H15N3O — CID 60972775

IUPACN-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine
SMILESCC(Nc1ccc2oc3ccccc3c2c1)c1ccn[nH]1
InChIInChI=1S/C17H15N3O/c1-11(15-8-9-18-20-15)19-12-6-7-17-14(10-12)13-4-2-3-5-16(13)21-17/h2-11,19H,1H3,(H,18,20)
InChIKeyKLRRWLKNOFWJQM-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.48
Rot. Bonds3

About N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine

N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine (PubChem CID 60972775) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine
PubChem CID60972775
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine
SMILESCC(Nc1ccc2oc3ccccc3c2c1)c1ccn[nH]1
InChIInChI=1S/C17H15N3O/c1-11(15-8-9-18-20-15)19-12-6-7-17-14(10-12)13-4-2-3-5-16(13)21-17/h2-11,19H,1H3,(H,18,20)
InChIKeyKLRRWLKNOFWJQM-UHFFFAOYSA-N
XLogP4.48
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine?
The IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine (CID 60972775) is N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine?
The canonical SMILES for N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine is CC(Nc1ccc2oc3ccccc3c2c1)c1ccn[nH]1.
What is the InChIKey of N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine?
The InChIKey is KLRRWLKNOFWJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11(15-8-9-18-20-15)19-12-6-7-17-14(10-12)13-4-2-3-5-16(13)21-17/h2-11,19H,1H3,(H,18,20).
What are the key properties of N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine?
N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine has a molecular weight of 277.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-5-yl)ethyl]dibenzofuran-2-amine is sourced from PubChem (CID 60972775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).