4-phenylpyrazolidine-3-carbonitrile

C10H11N3 — CID 53426776

IUPAC4-phenylpyrazolidine-3-carbonitrile
SMILESN#CC1NNCC1c1ccccc1
InChIInChI=1S/C10H11N3/c11-6-10-9(7-12-13-10)8-4-2-1-3-5-8/h1-5,9-10,12-13H,7H2
InChIKeyAANSAKGKDXDNSV-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.77
Rot. Bonds1

About 4-phenylpyrazolidine-3-carbonitrile

4-phenylpyrazolidine-3-carbonitrile (PubChem CID 53426776) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-phenylpyrazolidine-3-carbonitrile.

Molecular Properties

Compound Name4-phenylpyrazolidine-3-carbonitrile
PubChem CID53426776
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-phenylpyrazolidine-3-carbonitrile
SMILESN#CC1NNCC1c1ccccc1
InChIInChI=1S/C10H11N3/c11-6-10-9(7-12-13-10)8-4-2-1-3-5-8/h1-5,9-10,12-13H,7H2
InChIKeyAANSAKGKDXDNSV-UHFFFAOYSA-N
XLogP0.77
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrazolidine-3-carbonitrile?
The IUPAC name of 4-phenylpyrazolidine-3-carbonitrile (CID 53426776) is 4-phenylpyrazolidine-3-carbonitrile.
What is the SMILES notation for 4-phenylpyrazolidine-3-carbonitrile?
The canonical SMILES for 4-phenylpyrazolidine-3-carbonitrile is N#CC1NNCC1c1ccccc1.
What is the InChIKey of 4-phenylpyrazolidine-3-carbonitrile?
The InChIKey is AANSAKGKDXDNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-6-10-9(7-12-13-10)8-4-2-1-3-5-8/h1-5,9-10,12-13H,7H2.
What are the key properties of 4-phenylpyrazolidine-3-carbonitrile?
4-phenylpyrazolidine-3-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrazolidine-3-carbonitrile is sourced from PubChem (CID 53426776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).