N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

C16H13F2N3 — CID 43745314

IUPACN-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESFc1ccc(F)c(CNc2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C16H13F2N3/c17-13-4-5-15(18)12(8-13)10-19-14-3-1-2-11(9-14)16-6-7-20-21-16/h1-9,19H,10H2,(H,20,21)
InChIKeyQWTDQJCKUPEHOF-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.97
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 43745314) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID43745314
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESFc1ccc(F)c(CNc2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C16H13F2N3/c17-13-4-5-15(18)12(8-13)10-19-14-3-1-2-11(9-14)16-6-7-20-21-16/h1-9,19H,10H2,(H,20,21)
InChIKeyQWTDQJCKUPEHOF-UHFFFAOYSA-N
XLogP3.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 103947437
N-[(4-bromo-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745387
N-[(3-chloro-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 115750287
N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62121809
N-[(2-bromophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745385
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
2-chloro-6-[[3-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 115903776
2-bromo-6-[[3-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 61391731
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline (CID 43745314) is N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline is Fc1ccc(F)c(CNc2cccc(-c3ccn[nH]3)c2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is QWTDQJCKUPEHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-13-4-5-15(18)12(8-13)10-19-14-3-1-2-11(9-14)16-6-7-20-21-16/h1-9,19H,10H2,(H,20,21).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 285.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43745314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).