[4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

C13H13F2N5O — CID 154843830

IUPAC[4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(C(F)F)cc1)N1CCCC1c1nn[nH]n1
InChIInChI=1S/C13H13F2N5O/c14-11(15)8-3-5-9(6-4-8)13(21)20-7-1-2-10(20)12-16-18-19-17-12/h3-6,10-11H,1-2,7H2,(H,16,17,18,19)
InChIKeyALKAFHGMFFVUDB-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.11
Rot. Bonds3

About [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

[4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 154843830) has the molecular formula C13H13F2N5O and a molecular weight of 293.28 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID154843830
Molecular FormulaC13H13F2N5O
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name[4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(C(F)F)cc1)N1CCCC1c1nn[nH]n1
InChIInChI=1S/C13H13F2N5O/c14-11(15)8-3-5-9(6-4-8)13(21)20-7-1-2-10(20)12-16-18-19-17-12/h3-6,10-11H,1-2,7H2,(H,16,17,18,19)
InChIKeyALKAFHGMFFVUDB-UHFFFAOYSA-N
XLogP2.11
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (CID 154843830) is [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(C(F)F)cc1)N1CCCC1c1nn[nH]n1.
What is the InChIKey of [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ALKAFHGMFFVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O/c14-11(15)8-3-5-9(6-4-8)13(21)20-7-1-2-10(20)12-16-18-19-17-12/h3-6,10-11H,1-2,7H2,(H,16,17,18,19).
What are the key properties of [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
[4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 293.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154843830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).