N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine

C22H25F2N3 — CID 72545823

IUPACN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C
InChIInChI=1S/C22H25F2N3/c1-3-4-7-12-25-14-17-15-27(21-11-10-18(23)13-20(21)24)26-22(17)19-9-6-5-8-16(19)2/h5-6,8-11,13,15,25H,3-4,7,12,14H2,1-2H3
InChIKeyAKVCNLGPOGONDM-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.41
Rot. Bonds8

About N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine

N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine (PubChem CID 72545823) has the molecular formula C22H25F2N3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine
PubChem CID72545823
Molecular FormulaC22H25F2N3
Molecular Weight369.46 g/mol
Exact Mass369.20
IUPAC NameN-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C
InChIInChI=1S/C22H25F2N3/c1-3-4-7-12-25-14-17-15-27(21-11-10-18(23)13-20(21)24)26-22(17)19-9-6-5-8-16(19)2/h5-6,8-11,13,15,25H,3-4,7,12,14H2,1-2H3
InChIKeyAKVCNLGPOGONDM-UHFFFAOYSA-N
XLogP5.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fezolamine
CID 54567
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
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894324
1H-Pyrazole-4-carbonitrile, 1,3-diphenyl-
CID 700979
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 9862544
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
(1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44543088

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine (CID 72545823) is N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine is CCCCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine?
The InChIKey is AKVCNLGPOGONDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3/c1-3-4-7-12-25-14-17-15-27(21-11-10-18(23)13-20(21)24)26-22(17)19-9-6-5-8-16(19)2/h5-6,8-11,13,15,25H,3-4,7,12,14H2,1-2H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine?
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine has a molecular weight of 369.46 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pentan-1-amine is sourced from PubChem (CID 72545823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).