N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline

C13H15F2N3 — CID 65192411

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
SMILESCc1nn(C)cc1C(C)Nc1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3/c1-8(11-7-18(3)17-9(11)2)16-13-5-4-10(14)6-12(13)15/h4-8,16H,1-3H3
InChIKeyMETCYDMCJCWOJY-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.18
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline (PubChem CID 65192411) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
PubChem CID65192411
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
SMILESCc1nn(C)cc1C(C)Nc1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3/c1-8(11-7-18(3)17-9(11)2)16-13-5-4-10(14)6-12(13)15/h4-8,16H,1-3H3
InChIKeyMETCYDMCJCWOJY-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 65197070
6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine
CID 114050711
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline
CID 65191841
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479953
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81364940
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107715487
3-bromo-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
CID 65192078
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline (CID 65192411) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline is Cc1nn(C)cc1C(C)Nc1ccc(F)cc1F.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline?
The InChIKey is METCYDMCJCWOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8(11-7-18(3)17-9(11)2)16-13-5-4-10(14)6-12(13)15/h4-8,16H,1-3H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline has a molecular weight of 251.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline is sourced from PubChem (CID 65192411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).