3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide

C19H19FN4O — CID 131636037

IUPAC3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(C2CNNC2)c(C#N)c1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-12(13-2-5-17(20)6-3-13)24-19(25)14-4-7-18(15(8-14)9-21)16-10-22-23-11-16/h2-8,12,16,22-23H,10-11H2,1H3,(H,24,25)/t12-/m1/s1
InChIKeyZKSSERBVOURYCF-GFCCVEGCSA-N
MW338.39 g/mol
LogP2.38
Rot. Bonds4

About 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide

3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636037) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
PubChem CID131636037
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(C2CNNC2)c(C#N)c1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O/c1-12(13-2-5-17(20)6-3-13)24-19(25)14-4-7-18(15(8-14)9-21)16-10-22-23-11-16/h2-8,12,16,22-23H,10-11H2,1H3,(H,24,25)/t12-/m1/s1
InChIKeyZKSSERBVOURYCF-GFCCVEGCSA-N
XLogP2.38
TPSA76.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide (CID 131636037) is 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide is C[C@@H](NC(=O)c1ccc(C2CNNC2)c(C#N)c1)c1ccc(F)cc1.
What is the InChIKey of 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
The InChIKey is ZKSSERBVOURYCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12(13-2-5-17(20)6-3-13)24-19(25)14-4-7-18(15(8-14)9-21)16-10-22-23-11-16/h2-8,12,16,22-23H,10-11H2,1H3,(H,24,25)/t12-/m1/s1.
What are the key properties of 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide has a molecular weight of 338.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).