N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline

C15H19N3 — CID 43693822

IUPACN-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
SMILESc1ccc(NC2CCCC2)c(Cn2cccn2)c1
InChIInChI=1S/C15H19N3/c1-4-9-15(17-14-7-2-3-8-14)13(6-1)12-18-11-5-10-16-18/h1,4-6,9-11,14,17H,2-3,7-8,12H2
InChIKeyPDBFZBYVQQDAPC-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.29
Rot. Bonds4

About N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline

N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline (PubChem CID 43693822) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
PubChem CID43693822
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
SMILESc1ccc(NC2CCCC2)c(Cn2cccn2)c1
InChIInChI=1S/C15H19N3/c1-4-9-15(17-14-7-2-3-8-14)13(6-1)12-18-11-5-10-16-18/h1,4-6,9-11,14,17H,2-3,7-8,12H2
InChIKeyPDBFZBYVQQDAPC-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline (CID 43693822) is N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline is c1ccc(NC2CCCC2)c(Cn2cccn2)c1.
What is the InChIKey of N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline?
The InChIKey is PDBFZBYVQQDAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-9-15(17-14-7-2-3-8-14)13(6-1)12-18-11-5-10-16-18/h1,4-6,9-11,14,17H,2-3,7-8,12H2.
What are the key properties of N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline?
N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline has a molecular weight of 241.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 43693822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).