2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile

C14H15FN4 — CID 103571361

IUPAC2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile
SMILESCCCn1cc(CNc2cccc(F)c2C#N)cn1
InChIInChI=1S/C14H15FN4/c1-2-6-19-10-11(9-18-19)8-17-14-5-3-4-13(15)12(14)7-16/h3-5,9-10,17H,2,6,8H2,1H3
InChIKeySTVSWXSNTQMDBJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.92
Rot. Bonds5

About 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile

2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile (PubChem CID 103571361) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile
PubChem CID103571361
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile
SMILESCCCn1cc(CNc2cccc(F)c2C#N)cn1
InChIInChI=1S/C14H15FN4/c1-2-6-19-10-11(9-18-19)8-17-14-5-3-4-13(15)12(14)7-16/h3-5,9-10,17H,2,6,8H2,1H3
InChIKeySTVSWXSNTQMDBJ-UHFFFAOYSA-N
XLogP2.92
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325
4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571404
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
2-ethylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571450
2-chloro-6-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 61361195
2-fluoro-6-(1,2-oxazol-4-ylmethylamino)benzonitrile
CID 60871325
2-fluoro-6-[(4-propoxyphenyl)methylamino]benzonitrile
CID 43580160
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
2-fluoro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]benzonitrile
CID 113345409
3-bromo-2-(methoxymethyl)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818966
2-fluoro-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzonitrile
CID 9024491

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile (CID 103571361) is 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile is CCCn1cc(CNc2cccc(F)c2C#N)cn1.
What is the InChIKey of 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile?
The InChIKey is STVSWXSNTQMDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-2-6-19-10-11(9-18-19)8-17-14-5-3-4-13(15)12(14)7-16/h3-5,9-10,17H,2,6,8H2,1H3.
What are the key properties of 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile?
2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile has a molecular weight of 258.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1-propylpyrazol-4-yl)methylamino]benzonitrile is sourced from PubChem (CID 103571361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).