2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine

C19H21F2N5 — CID 58683072

IUPAC2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(-c2c(F)cc(F)cc2CNCCn2cccn2)c1
InChIInChI=1S/C19H21F2N5/c1-25(2)16-4-6-23-18(12-16)19-14(10-15(20)11-17(19)21)13-22-7-9-26-8-3-5-24-26/h3-6,8,10-12,22H,7,9,13H2,1-2H3
InChIKeyQWCULDDHZZXXKO-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.08
Rot. Bonds7

About 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine

2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine (PubChem CID 58683072) has the molecular formula C19H21F2N5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine
PubChem CID58683072
Molecular FormulaC19H21F2N5
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(-c2c(F)cc(F)cc2CNCCn2cccn2)c1
InChIInChI=1S/C19H21F2N5/c1-25(2)16-4-6-23-18(12-16)19-14(10-15(20)11-17(19)21)13-22-7-9-26-8-3-5-24-26/h3-6,8,10-12,22H,7,9,13H2,1-2H3
InChIKeyQWCULDDHZZXXKO-UHFFFAOYSA-N
XLogP3.08
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine
CID 58683070
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 31043834
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070927
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62473154
2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
CID 61070929
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111901423
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-pyrazol-1-ylethanamine
CID 61071668
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79604843
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64988200
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine (CID 58683072) is 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine is CN(C)c1ccnc(-c2c(F)cc(F)cc2CNCCn2cccn2)c1.
What is the InChIKey of 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine?
The InChIKey is QWCULDDHZZXXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5/c1-25(2)16-4-6-23-18(12-16)19-14(10-15(20)11-17(19)21)13-22-7-9-26-8-3-5-24-26/h3-6,8,10-12,22H,7,9,13H2,1-2H3.
What are the key properties of 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine?
2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine has a molecular weight of 357.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 58683072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).