N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine

C16H19N3 — CID 61309349

IUPACN-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1cnn(-c2ccc(NC3CC4CCC3C4)cc2)c1
InChIInChI=1S/C16H19N3/c1-8-17-19(9-1)15-6-4-14(5-7-15)18-16-11-12-2-3-13(16)10-12/h1,4-9,12-13,16,18H,2-3,10-11H2
InChIKeyAGIYSCBYCTVTQQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.47
Rot. Bonds3

About N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine

N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309349) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID61309349
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1cnn(-c2ccc(NC3CC4CCC3C4)cc2)c1
InChIInChI=1S/C16H19N3/c1-8-17-19(9-1)15-6-4-14(5-7-15)18-16-11-12-2-3-13(16)10-12/h1,4-9,12-13,16,18H,2-3,10-11H2
InChIKeyAGIYSCBYCTVTQQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 61309349) is N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine is c1cnn(-c2ccc(NC3CC4CCC3C4)cc2)c1.
What is the InChIKey of N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is AGIYSCBYCTVTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-8-17-19(9-1)15-6-4-14(5-7-15)18-16-11-12-2-3-13(16)10-12/h1,4-9,12-13,16,18H,2-3,10-11H2.
What are the key properties of N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).