phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone

C12H9N5O — CID 46229310

IUPACphenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone
SMILESO=C(c1ccccc1)c1cccn1-c1nn[nH]n1
InChIInChI=1S/C12H9N5O/c18-11(9-5-2-1-3-6-9)10-7-4-8-17(10)12-13-15-16-14-12/h1-8H,(H,13,14,15,16)
InChIKeyHPULAOSZPZMNPD-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.22
Rot. Bonds3

About phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone

phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone (PubChem CID 46229310) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone
PubChem CID46229310
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Namephenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone
SMILESO=C(c1ccccc1)c1cccn1-c1nn[nH]n1
InChIInChI=1S/C12H9N5O/c18-11(9-5-2-1-3-6-9)10-7-4-8-17(10)12-13-15-16-14-12/h1-8H,(H,13,14,15,16)
InChIKeyHPULAOSZPZMNPD-UHFFFAOYSA-N
XLogP1.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(1-methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 11219387
(2S)-1-(1-methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 11425653
1-(1-Methyl-1h-pyrrol-2-yl)-2-phenyl-2-(1-pyrrolidinyl) ethanone
CID 44398339
1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-3-(1H-tetrazol-5-yl)propane-1,3-dione
CID 492687
N-(5-tetrazolyl)-4-n-butyl-2-pyridinecarboxamide
CID 13209560
Methanone, (1-methyl-1H-pyrrol-2-yl)phenyl-
CID 142165
(2R)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 24824442
(2S)-1-(1-(111C)methylpyrrol-2-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 24824443
phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone
CID 46229286
phenyl-[1-(2H-tetrazol-5-ylmethyl)pyrrol-3-yl]methanone
CID 46229305
1-(2H-Tetrazole-5-yl)-1H-pyrrol-3-yl)(phenyl)methanone
CID 46229308
phenyl-[1-[3-(2H-tetrazol-5-yl)propyl]pyrrol-3-yl]methanone
CID 46229309

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone?
The IUPAC name of phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone (CID 46229310) is phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone.
What is the SMILES notation for phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone?
The canonical SMILES for phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone is O=C(c1ccccc1)c1cccn1-c1nn[nH]n1.
What is the InChIKey of phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone?
The InChIKey is HPULAOSZPZMNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-11(9-5-2-1-3-6-9)10-7-4-8-17(10)12-13-15-16-14-12/h1-8H,(H,13,14,15,16).
What are the key properties of phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone?
phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone has a molecular weight of 239.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-(2H-tetrazol-5-yl)pyrrol-2-yl]methanone is sourced from PubChem (CID 46229310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).