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

C24H22ClFN4 — CID 45192137

IUPACN-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(NCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)c1ccncc1
InChIInChI=1S/C24H22ClFN4/c1-2-23(17-11-13-27-14-12-17)28-15-18-16-30(20-9-7-19(26)8-10-20)29-24(18)21-5-3-4-6-22(21)25/h3-14,16,23,28H,2,15H2,1H3
InChIKeyDLYQZGIGSLUHCG-UHFFFAOYSA-N
MW420.92 g/mol
LogP5.97
Rot. Bonds7

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

N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine (PubChem CID 45192137) has the molecular formula C24H22ClFN4 and a molecular weight of 420.92 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine
PubChem CID45192137
Molecular FormulaC24H22ClFN4
Molecular Weight420.92 g/mol
Exact Mass420.15
IUPAC NameN-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(NCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)c1ccncc1
InChIInChI=1S/C24H22ClFN4/c1-2-23(17-11-13-27-14-12-17)28-15-18-16-30(20-9-7-19(26)8-10-20)29-24(18)21-5-3-4-6-22(21)25/h3-14,16,23,28H,2,15H2,1H3
InChIKeyDLYQZGIGSLUHCG-UHFFFAOYSA-N
XLogP5.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
Arylpyrazole, 14
CID 44143414
Arylpyrazole, 15
CID 44143415
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407
4-(3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037400
4-(3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037512
(1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44543088
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(3-pyridinylmethyl)-1H-pyrazol-4-yl]acetamide
CID 46887252
4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 51588297
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine (CID 45192137) is N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine is CCC(NCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)c1ccncc1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine?
The InChIKey is DLYQZGIGSLUHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4/c1-2-23(17-11-13-27-14-12-17)28-15-18-16-30(20-9-7-19(26)8-10-20)29-24(18)21-5-3-4-6-22(21)25/h3-14,16,23,28H,2,15H2,1H3.
What are the key properties of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine?
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine has a molecular weight of 420.92 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 45192137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).