4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline

C14H14FN5 — CID 102288819

IUPAC4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline
SMILESFc1ccc(N(Cn2cccn2)Cn2cccn2)cc1
InChIInChI=1S/C14H14FN5/c15-13-3-5-14(6-4-13)18(11-19-9-1-7-16-19)12-20-10-2-8-17-20/h1-10H,11-12H2
InChIKeyZGAALYUPUFPVLP-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.34
Rot. Bonds5

About 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline

4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline (PubChem CID 102288819) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline
PubChem CID102288819
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline
SMILESFc1ccc(N(Cn2cccn2)Cn2cccn2)cc1
InChIInChI=1S/C14H14FN5/c15-13-3-5-14(6-4-13)18(11-19-9-1-7-16-19)12-20-10-2-8-17-20/h1-10H,11-12H2
InChIKeyZGAALYUPUFPVLP-UHFFFAOYSA-N
XLogP2.34
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis((3,5-dimethylpyrazol-1-yl)methyl)aniline
CID 404563
1-(4-fluorophenyl)-1H-pyrazole
CID 19937184
1-(3-Fluorophenyl)-1H-pyrazole
CID 37818511
1-(3-Fluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]pyrazole
CID 53618311
1-(1-ethyl-1H-pyrazol-4-yl)-N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 56909472
1-(2,4-Difluorophenyl)-1H-pyrazole
CID 11331591
1-(2-Fluorophenyl)-1H-pyrazole
CID 20481681
1-(4-azido-2-fluorophenyl)-1H-pyrazole
CID 58758334
1-[2,4-Difluoro-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole
CID 58965512
Bis(diazol-1-yl)-fluorobenzene
CID 129777424
N,N-bis((3,5-dimethyl-1h-pyrazol-1-yl)methyl)-4-fluoroaniline
CID 166436407
Bis[2-(1h-pyrazol-1-yl)phenyl)mercury
CID 13203473

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline?
The IUPAC name of 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline (CID 102288819) is 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline is Fc1ccc(N(Cn2cccn2)Cn2cccn2)cc1.
What is the InChIKey of 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline?
The InChIKey is ZGAALYUPUFPVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c15-13-3-5-14(6-4-13)18(11-19-9-1-7-16-19)12-20-10-2-8-17-20/h1-10H,11-12H2.
What are the key properties of 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline?
4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline has a molecular weight of 271.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-bis(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 102288819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).