N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine

C17H15N3 — CID 61286058

IUPACN-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine
SMILESc1ccc2c(c1)-c1ccccc1C2NCc1ccn[nH]1
InChIInChI=1S/C17H15N3/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)17(15)18-11-12-9-10-19-20-12/h1-10,17-18H,11H2,(H,19,20)
InChIKeyIHDJJXCSOFHGLA-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.27
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine

N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine (PubChem CID 61286058) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine
PubChem CID61286058
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine
SMILESc1ccc2c(c1)-c1ccccc1C2NCc1ccn[nH]1
InChIInChI=1S/C17H15N3/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)17(15)18-11-12-9-10-19-20-12/h1-10,17-18H,11H2,(H,19,20)
InChIKeyIHDJJXCSOFHGLA-UHFFFAOYSA-N
XLogP3.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine (CID 61286058) is N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine is c1ccc2c(c1)-c1ccccc1C2NCc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine?
The InChIKey is IHDJJXCSOFHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)17(15)18-11-12-9-10-19-20-12/h1-10,17-18H,11H2,(H,19,20).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine?
N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine has a molecular weight of 261.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-9H-fluoren-9-amine is sourced from PubChem (CID 61286058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).