1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine

C18H17N3 — CID 43543494

IUPAC1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine
SMILESCCn1cc(NC2c3ccccc3-c3ccccc32)cn1
InChIInChI=1S/C18H17N3/c1-2-21-12-13(11-19-21)20-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-12,18,20H,2H2,1H3
InChIKeyUVOJSFDXFUACJG-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.08
Rot. Bonds3

About 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine

1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine (PubChem CID 43543494) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine
PubChem CID43543494
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine
SMILESCCn1cc(NC2c3ccccc3-c3ccccc32)cn1
InChIInChI=1S/C18H17N3/c1-2-21-12-13(11-19-21)20-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-12,18,20H,2H2,1H3
InChIKeyUVOJSFDXFUACJG-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine (CID 43543494) is 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine is CCn1cc(NC2c3ccccc3-c3ccccc32)cn1.
What is the InChIKey of 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine?
The InChIKey is UVOJSFDXFUACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-21-12-13(11-19-21)20-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-12,18,20H,2H2,1H3.
What are the key properties of 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine?
1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine has a molecular weight of 275.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(9H-fluoren-9-yl)pyrazol-4-amine is sourced from PubChem (CID 43543494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).