N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine

C23H21ClFN5 — CID 45193650

IUPACN-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCC(Cc1cnccn1)NCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H21ClFN5/c1-16(12-19-14-26-10-11-27-19)28-13-17-15-30(20-8-6-18(25)7-9-20)29-23(17)21-4-2-3-5-22(21)24/h2-11,14-16,28H,12-13H2,1H3
InChIKeyMFYABUJQJFGBJO-UHFFFAOYSA-N
MW421.91 g/mol
LogP4.84
Rot. Bonds7

About N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine

N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine (PubChem CID 45193650) has the molecular formula C23H21ClFN5 and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine
PubChem CID45193650
Molecular FormulaC23H21ClFN5
Molecular Weight421.91 g/mol
Exact Mass421.15
IUPAC NameN-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCC(Cc1cnccn1)NCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H21ClFN5/c1-16(12-19-14-26-10-11-27-19)28-13-17-15-30(20-8-6-18(25)7-9-20)29-23(17)21-4-2-3-5-22(21)24/h2-11,14-16,28H,12-13H2,1H3
InChIKeyMFYABUJQJFGBJO-UHFFFAOYSA-N
XLogP4.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine
CID 45174955
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 42532881
N-[(2-methoxyphenyl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 131963860
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 26402492
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 42556965
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
8-chloro-2-[[[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-1H-quinolin-4-one
CID 97117416
5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 70785708
(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol
CID 47624262
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133380218

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine (CID 45193650) is N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine is CC(Cc1cnccn1)NCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine?
The InChIKey is MFYABUJQJFGBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5/c1-16(12-19-14-26-10-11-27-19)28-13-17-15-30(20-8-6-18(25)7-9-20)29-23(17)21-4-2-3-5-22(21)24/h2-11,14-16,28H,12-13H2,1H3.
What are the key properties of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine?
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine has a molecular weight of 421.91 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 45193650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).