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

C14H14FN3O — CID 107909495

IUPAC4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile
SMILESCCCn1cc(OCc2cc(F)ccc2C#N)cn1
InChIInChI=1S/C14H14FN3O/c1-2-5-18-9-14(8-17-18)19-10-12-6-13(15)4-3-11(12)7-16/h3-4,6,8-9H,2,5,10H2,1H3
InChIKeyOEMCDELPTLSKLA-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.88
Rot. Bonds5

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

4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile (PubChem CID 107909495) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile
PubChem CID107909495
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile
SMILESCCCn1cc(OCc2cc(F)ccc2C#N)cn1
InChIInChI=1S/C14H14FN3O/c1-2-5-18-9-14(8-17-18)19-10-12-6-13(15)4-3-11(12)7-16/h3-4,6,8-9H,2,5,10H2,1H3
InChIKeyOEMCDELPTLSKLA-UHFFFAOYSA-N
XLogP2.88
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzonitrile
CID 116801252
4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
CID 114014859
2-bromo-3-fluoro-4-(1-propylpyrazol-4-yl)oxybenzonitrile
CID 107534446
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
2-[(3-cyano-5-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 103577959
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
5-[(1-ethylpyrazol-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 114013035
2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile
CID 114014507
2-[[4-(ethylaminomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902677
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
CID 102670696
ethyl 1-[(2-cyano-5-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 107905461
2-[(1-methylpyrazol-4-yl)oxymethyl]benzonitrile
CID 115753079

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile (CID 107909495) is 4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile is CCCn1cc(OCc2cc(F)ccc2C#N)cn1.
What is the InChIKey of 4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile?
The InChIKey is OEMCDELPTLSKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-2-5-18-9-14(8-17-18)19-10-12-6-13(15)4-3-11(12)7-16/h3-4,6,8-9H,2,5,10H2,1H3.
What are the key properties of 4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile?
4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile has a molecular weight of 259.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 107909495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).