3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

C15H12F2N4 — CID 43761640

IUPAC3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2cn[nH]c2-c2cccnc2)cc1F
InChIInChI=1S/C15H12F2N4/c16-13-4-3-12(6-14(13)17)19-8-11-9-20-21-15(11)10-2-1-5-18-7-10/h1-7,9,19H,8H2,(H,20,21)
InChIKeyIMJFMXAJXSGVOY-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.36
Rot. Bonds4

About 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline

3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 43761640) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID43761640
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESFc1ccc(NCc2cn[nH]c2-c2cccnc2)cc1F
InChIInChI=1S/C15H12F2N4/c16-13-4-3-12(6-14(13)17)19-8-11-9-20-21-15(11)10-2-1-5-18-7-10/h1-7,9,19H,8H2,(H,20,21)
InChIKeyIMJFMXAJXSGVOY-UHFFFAOYSA-N
XLogP3.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
6-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 81498728
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 78893950
2-iodo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43773509
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
4-bromo-2-chloro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43774965
N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide
CID 166230930
3-bromo-2-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 103890740
1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine
CID 86802800
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline (CID 43761640) is 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is Fc1ccc(NCc2cn[nH]c2-c2cccnc2)cc1F.
What is the InChIKey of 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is IMJFMXAJXSGVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c16-13-4-3-12(6-14(13)17)19-8-11-9-20-21-15(11)10-2-1-5-18-7-10/h1-7,9,19H,8H2,(H,20,21).
What are the key properties of 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline?
3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 286.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43761640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).