phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone

C12H9N5O — CID 46229308

IUPACphenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone
SMILESO=C(c1ccccc1)c1ccn(-c2nn[nH]n2)c1
InChIInChI=1S/C12H9N5O/c18-11(9-4-2-1-3-5-9)10-6-7-17(8-10)12-13-15-16-14-12/h1-8H,(H,13,14,15,16)
InChIKeyWONSNJKOBYCBKA-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.22
Rot. Bonds3

About phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone

phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone (PubChem CID 46229308) 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-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone
PubChem CID46229308
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Namephenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone
SMILESO=C(c1ccccc1)c1ccn(-c2nn[nH]n2)c1
InChIInChI=1S/C12H9N5O/c18-11(9-4-2-1-3-5-9)10-6-7-17(8-10)12-13-15-16-14-12/h1-8H,(H,13,14,15,16)
InChIKeyWONSNJKOBYCBKA-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

1-phenyl-3-(5-(pyridin-3-yl)-1H-tetrazol-1-yl)propan-1-one
CID 46890516
1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-3-(1H-tetrazol-5-yl)propane-1,3-dione
CID 492687
(E)-3-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 16306721
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
phenyl-[1-[3-(2H-tetrazol-5-yl)propyl]pyrrol-3-yl]methanone
CID 46229309
1-(2H-tetrazole-5-yl)-1H-pyrrol-2-yl)(phenyl)methanone
CID 46229310
3-fluoro-4-pyrrol-1-yl-N-(2H-tetrazol-5-yl)benzamide
CID 56826852
1-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]ethanone
CID 71596542
1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110483
1-[1-[(4-fluorophenyl)methyl]pyrrol-3-yl]-3-(2H-tetrazol-5-yl)propane-1,3-dione
CID 91064814
2-Phenyl-1-pyridin-3-yl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 13749947

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone?
The IUPAC name of phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone (CID 46229308) is phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone.
What is the SMILES notation for phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone?
The canonical SMILES for phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone is O=C(c1ccccc1)c1ccn(-c2nn[nH]n2)c1.
What is the InChIKey of phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]methanone?
The InChIKey is WONSNJKOBYCBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-11(9-4-2-1-3-5-9)10-6-7-17(8-10)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-3-yl]methanone?
phenyl-[1-(2H-tetrazol-5-yl)pyrrol-3-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-3-yl]methanone is sourced from PubChem (CID 46229308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).