[1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C17H17FN6O — CID 56824936

IUPAC[1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C2CCCN2C(=O)c2cn(-c3ccc(F)cc3)nn2)cn1
InChIInChI=1S/C17H17FN6O/c1-22-10-12(9-19-22)16-3-2-8-23(16)17(25)15-11-24(21-20-15)14-6-4-13(18)5-7-14/h4-7,9-11,16H,2-3,8H2,1H3
InChIKeyCTMGCQYRQAHQLU-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.12
Rot. Bonds3

About [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 56824936) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID56824936
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name[1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C2CCCN2C(=O)c2cn(-c3ccc(F)cc3)nn2)cn1
InChIInChI=1S/C17H17FN6O/c1-22-10-12(9-19-22)16-3-2-8-23(16)17(25)15-11-24(21-20-15)14-6-4-13(18)5-7-14/h4-7,9-11,16H,2-3,8H2,1H3
InChIKeyCTMGCQYRQAHQLU-UHFFFAOYSA-N
XLogP2.12
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 56824936) is [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cn1cc(C2CCCN2C(=O)c2cn(-c3ccc(F)cc3)nn2)cn1.
What is the InChIKey of [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is CTMGCQYRQAHQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-22-10-12(9-19-22)16-3-2-8-23(16)17(25)15-11-24(21-20-15)14-6-4-13(18)5-7-14/h4-7,9-11,16H,2-3,8H2,1H3.
What are the key properties of [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 340.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)triazol-4-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56824936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).