N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline

C16H21N3 — CID 64501283

IUPACN-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline
SMILESCC1CCC(Nc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C16H21N3/c1-13-7-8-15(11-13)18-16-6-3-2-5-14(16)12-19-10-4-9-17-19/h2-6,9-10,13,15,18H,7-8,11-12H2,1H3
InChIKeyXWDNWLFHXDTJJB-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.53
Rot. Bonds4

About N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline

N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline (PubChem CID 64501283) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline
PubChem CID64501283
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline
SMILESCC1CCC(Nc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C16H21N3/c1-13-7-8-15(11-13)18-16-6-3-2-5-14(16)12-19-10-4-9-17-19/h2-6,9-10,13,15,18H,7-8,11-12H2,1H3
InChIKeyXWDNWLFHXDTJJB-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline (CID 64501283) is N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline is CC1CCC(Nc2ccccc2Cn2cccn2)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline?
The InChIKey is XWDNWLFHXDTJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-7-8-15(11-13)18-16-6-3-2-5-14(16)12-19-10-4-9-17-19/h2-6,9-10,13,15,18H,7-8,11-12H2,1H3.
What are the key properties of N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline?
N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline has a molecular weight of 255.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 64501283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).