N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine

C14H14ClFN4 — CID 66657165

IUPACN-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine
SMILESFc1ccc(N(c2cnccn2)C2CCNC2)cc1Cl
InChIInChI=1S/C14H14ClFN4/c15-12-7-10(1-2-13(12)16)20(11-3-4-17-8-11)14-9-18-5-6-19-14/h1-2,5-7,9,11,17H,3-4,8H2
InChIKeyHMSWFSCEUOXVPU-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.77
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine

N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine (PubChem CID 66657165) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine
PubChem CID66657165
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine
SMILESFc1ccc(N(c2cnccn2)C2CCNC2)cc1Cl
InChIInChI=1S/C14H14ClFN4/c15-12-7-10(1-2-13(12)16)20(11-3-4-17-8-11)14-9-18-5-6-19-14/h1-2,5-7,9,11,17H,3-4,8H2
InChIKeyHMSWFSCEUOXVPU-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
CID 15604599
N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
CID 15604597
(3S)-N-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)pyrrolidin-3-amine
CID 15604680
(3S)-N-(3-chloro-4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine;hydrochloride
CID 66657175
bis(but-2-enedioic acid);N-(3-chloro-4-fluorophenyl)-N-(4-pyridin-2-yloxybutyl)pyrrolidin-3-amine
CID 66657214
(3S)-N-methyl-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71641762
N-piperidin-4-yl-N-propan-2-ylpyrazin-2-amine
CID 83837945
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481
N-(4-chlorophenyl)-N-methylpiperidin-4-amine
CID 67274913
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 69171921
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 63298327

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine (CID 66657165) is N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine is Fc1ccc(N(c2cnccn2)C2CCNC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine?
The InChIKey is HMSWFSCEUOXVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c15-12-7-10(1-2-13(12)16)20(11-3-4-17-8-11)14-9-18-5-6-19-14/h1-2,5-7,9,11,17H,3-4,8H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine?
N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine has a molecular weight of 292.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine is sourced from PubChem (CID 66657165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).