N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine

C16H21N3 — CID 95132547

IUPACN-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
SMILESC[C@H](NC1CCCC1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H21N3/c1-13(18-14-7-2-3-8-14)15-9-4-5-10-16(15)19-12-6-11-17-19/h4-6,9-14,18H,2-3,7-8H2,1H3/t13-/m0/s1
InChIKeyPGROJINUYKSJHV-ZDUSSCGKSA-N
MW255.37 g/mol
LogP3.47
Rot. Bonds4

About N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine

N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine (PubChem CID 95132547) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
PubChem CID95132547
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
SMILESC[C@H](NC1CCCC1)c1ccccc1-n1cccn1
InChIInChI=1S/C16H21N3/c1-13(18-14-7-2-3-8-14)15-9-4-5-10-16(15)19-12-6-11-17-19/h4-6,9-14,18H,2-3,7-8H2,1H3/t13-/m0/s1
InChIKeyPGROJINUYKSJHV-ZDUSSCGKSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 97089159
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119781688
N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 71862790
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine;dihydrochloride
CID 154912415
4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 124590755
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
1-[2-[(2S,3R)-3-fluorobutan-2-yl]phenyl]pyrazole
CID 143730060

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine?
The IUPAC name of N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine (CID 95132547) is N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine?
The canonical SMILES for N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine is C[C@H](NC1CCCC1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine?
The InChIKey is PGROJINUYKSJHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(18-14-7-2-3-8-14)15-9-4-5-10-16(15)19-12-6-11-17-19/h4-6,9-14,18H,2-3,7-8H2,1H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine?
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine has a molecular weight of 255.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine is sourced from PubChem (CID 95132547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).