(2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile

C12H10FN3 — CID 154721550

IUPAC(2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile
SMILESC[C@@H](C#N)c1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C12H10FN3/c1-9(6-14)10-7-15-16(8-10)12-4-2-3-11(13)5-12/h2-5,7-9H,1H3/t9-/m0/s1
InChIKeyYKMPPBVYZLBPJV-VIFPVBQESA-N
MW215.23 g/mol
LogP2.64
Rot. Bonds2

About (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile

(2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile (PubChem CID 154721550) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile.

Molecular Properties

Compound Name(2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile
PubChem CID154721550
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Name(2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile
SMILESC[C@@H](C#N)c1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C12H10FN3/c1-9(6-14)10-7-15-16(8-10)12-4-2-3-11(13)5-12/h2-5,7-9H,1H3/t9-/m0/s1
InChIKeyYKMPPBVYZLBPJV-VIFPVBQESA-N
XLogP2.64
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[1-(3-fluorophenyl)pyrazol-4-yl]propane-1,2-diol
CID 171861355
3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide
CID 171869552
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
4-[1-chloro-2-(3-fluorophenyl)ethyl]-1-phenylpyrazole
CID 61086439
2-[3-(4-propan-2-ylpyrazol-1-yl)phenyl]ethynamine
CID 177116528
4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229517
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
tert-butyl N-[3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropyl]carbamate
CID 170833490
1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
CID 117230345
3-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229390
3-(4-propan-2-ylpyrazol-1-yl)benzaldehyde
CID 84783446
4-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(3-fluorophenyl)pyrazole
CID 130448496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile?
The IUPAC name of (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile (CID 154721550) is (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile.
What is the SMILES notation for (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile?
The canonical SMILES for (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile is C[C@@H](C#N)c1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile?
The InChIKey is YKMPPBVYZLBPJV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H10FN3/c1-9(6-14)10-7-15-16(8-10)12-4-2-3-11(13)5-12/h2-5,7-9H,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile?
(2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile has a molecular weight of 215.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-fluorophenyl)pyrazol-4-yl]propanenitrile is sourced from PubChem (CID 154721550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).