N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline

C16H21N3 — CID 80705471

IUPACN-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline
SMILESCC1(C)CCC(Nc2cccc(-c3ccn[nH]3)c2)C1
InChIInChI=1S/C16H21N3/c1-16(2)8-6-14(11-16)18-13-5-3-4-12(10-13)15-7-9-17-19-15/h3-5,7,9-10,14,18H,6,8,11H2,1-2H3,(H,17,19)
InChIKeyVTSXVRAZNHQEEU-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.07
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline

N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline (PubChem CID 80705471) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline
PubChem CID80705471
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline
SMILESCC1(C)CCC(Nc2cccc(-c3ccn[nH]3)c2)C1
InChIInChI=1S/C16H21N3/c1-16(2)8-6-14(11-16)18-13-5-3-4-12(10-13)15-7-9-17-19-15/h3-5,7,9-10,14,18H,6,8,11H2,1-2H3,(H,17,19)
InChIKeyVTSXVRAZNHQEEU-UHFFFAOYSA-N
XLogP4.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline (CID 80705471) is N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline is CC1(C)CCC(Nc2cccc(-c3ccn[nH]3)c2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is VTSXVRAZNHQEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2)8-6-14(11-16)18-13-5-3-4-12(10-13)15-7-9-17-19-15/h3-5,7,9-10,14,18H,6,8,11H2,1-2H3,(H,17,19).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline?
N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 255.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 80705471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).