N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine

C23H20ClFN4 — CID 42532881

IUPACN-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CNCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H20ClFN4/c1-16-12-26-11-10-17(16)13-27-14-18-15-29(20-8-6-19(25)7-9-20)28-23(18)21-4-2-3-5-22(21)24/h2-12,15,27H,13-14H2,1H3
InChIKeyKIFNLYVAEONSHQ-UHFFFAOYSA-N
MW406.89 g/mol
LogP5.33
Rot. Bonds6

About N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine

N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine (PubChem CID 42532881) has the molecular formula C23H20ClFN4 and a molecular weight of 406.89 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
PubChem CID42532881
Molecular FormulaC23H20ClFN4
Molecular Weight406.89 g/mol
Exact Mass406.14
IUPAC NameN-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CNCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H20ClFN4/c1-16-12-26-11-10-17(16)13-27-14-18-15-29(20-8-6-19(25)7-9-20)28-23(18)21-4-2-3-5-22(21)24/h2-12,15,27H,13-14H2,1H3
InChIKeyKIFNLYVAEONSHQ-UHFFFAOYSA-N
XLogP5.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 26397328
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-pyrazin-2-ylpropan-2-amine
CID 45193650
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 42556965
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
5-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 70785708
3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543102
N-[[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
CID 112773639
N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 114698730
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698958

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The IUPAC name of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine (CID 42532881) is N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine is Cc1cnccc1CNCc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The InChIKey is KIFNLYVAEONSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4/c1-16-12-26-11-10-17(16)13-27-14-18-15-29(20-8-6-19(25)7-9-20)28-23(18)21-4-2-3-5-22(21)24/h2-12,15,27H,13-14H2,1H3.
What are the key properties of N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine?
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine has a molecular weight of 406.89 g/mol, XLogP of 5.33, 6 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-(3-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 42532881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).