(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

C16H20N6O — CID 133110178

IUPAC(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C16H20N6O/c23-16(21-8-6-13(11-21)22-9-7-17-20-22)15-10-14(18-19-15)12-4-2-1-3-5-12/h1-5,7,9,13-15,18-19H,6,8,10-11H2
InChIKeyAFFUVYLIHNNFGD-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.66
Rot. Bonds3

About (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 133110178) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID133110178
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C16H20N6O/c23-16(21-8-6-13(11-21)22-9-7-17-20-22)15-10-14(18-19-15)12-4-2-1-3-5-12/h1-5,7,9,13-15,18-19H,6,8,10-11H2
InChIKeyAFFUVYLIHNNFGD-UHFFFAOYSA-N
XLogP0.66
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 133269656
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
2-benzylsulfanyl-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877292
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877286
N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 121150939
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
1-benzothiophen-2-yl-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877415
3-[1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 134081008
2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121150913

Frequently Asked Questions

What is the IUPAC name of (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (CID 133110178) is (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is O=C(C1CC(c2ccccc2)NN1)N1CCC(n2ccnn2)C1.
What is the InChIKey of (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AFFUVYLIHNNFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16(21-8-6-13(11-21)22-9-7-17-20-22)15-10-14(18-19-15)12-4-2-1-3-5-12/h1-5,7,9,13-15,18-19H,6,8,10-11H2.
What are the key properties of (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 312.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 133110178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).