N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine

C18H18F2N4 — CID 58683070

IUPACN-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine
SMILESCc1ccnc(-c2c(F)cc(F)cc2CNCCn2cccn2)c1
InChIInChI=1S/C18H18F2N4/c1-13-3-5-22-17(9-13)18-14(10-15(19)11-16(18)20)12-21-6-8-24-7-2-4-23-24/h2-5,7,9-11,21H,6,8,12H2,1H3
InChIKeyQJPVVSSBSXFCHS-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.32
Rot. Bonds6

About N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine

N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine (PubChem CID 58683070) has the molecular formula C18H18F2N4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine
PubChem CID58683070
Molecular FormulaC18H18F2N4
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine
SMILESCc1ccnc(-c2c(F)cc(F)cc2CNCCn2cccn2)c1
InChIInChI=1S/C18H18F2N4/c1-13-3-5-22-17(9-13)18-14(10-15(19)11-16(18)20)12-21-6-8-24-7-2-4-23-24/h2-5,7,9-11,21H,6,8,12H2,1H3
InChIKeyQJPVVSSBSXFCHS-UHFFFAOYSA-N
XLogP3.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine
CID 58683072
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070927
2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62473154
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 31043834
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79604843
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
bis(2-(2,4-difluorophenyl)-4-methylpyridine);hydron;iridium;1-(pyrazol-1-ylmethyl)pyrazole;hexafluorophosphate
CID 174791661
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-pyrazol-1-ylethanamine
CID 61071668
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111901423
N-[(2-bromo-3,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 56781264

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine (CID 58683070) is N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine is Cc1ccnc(-c2c(F)cc(F)cc2CNCCn2cccn2)c1.
What is the InChIKey of N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is QJPVVSSBSXFCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4/c1-13-3-5-22-17(9-13)18-14(10-15(19)11-16(18)20)12-21-6-8-24-7-2-4-23-24/h2-5,7,9-11,21H,6,8,12H2,1H3.
What are the key properties of N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine?
N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 328.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 58683070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).