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

C14H13N5O — CID 46229286

IUPACphenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccccc1)c1ccn(CCc2nn[nH]n2)c1
InChIInChI=1S/C14H13N5O/c20-14(11-4-2-1-3-5-11)12-6-8-19(10-12)9-7-13-15-17-18-16-13/h1-6,8,10H,7,9H2,(H,15,16,17,18)
InChIKeyDXXTVKSZGKZTIZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.47
Rot. Bonds5

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

phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone (PubChem CID 46229286) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone
PubChem CID46229286
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Namephenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccccc1)c1ccn(CCc2nn[nH]n2)c1
InChIInChI=1S/C14H13N5O/c20-14(11-4-2-1-3-5-11)12-6-8-19(10-12)9-7-13-15-17-18-16-13/h1-6,8,10H,7,9H2,(H,15,16,17,18)
InChIKeyDXXTVKSZGKZTIZ-UHFFFAOYSA-N
XLogP1.47
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Fluoro-phenyl)-4-(5-pyridin-3-yl-tetrazol-2-yl)-butan-1-one
CID 644806
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
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
1-(2H-tetrazole-5-yl)-1H-pyrrol-2-yl)(phenyl)methanone
CID 46229310
1-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]ethanone
CID 71596542
3-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-1-(2H-tetrazol-5-yl)propane-1,2-dione
CID 69138127
3-[1-[(4-fluorophenyl)methyl]pyrrol-3-yl]-1-(2H-tetrazol-5-yl)propane-1,2-dione
CID 69138302
3-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-1-(2H-tetrazol-5-yl)propane-1,2-dione
CID 69139234
1-[4-benzoyl-1-[(3-fluorophenyl)methyl]pyrrol-2-yl]-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69139801

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone?
The IUPAC name of phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone (CID 46229286) is phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone.
What is the SMILES notation for phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone?
The canonical SMILES for phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone is O=C(c1ccccc1)c1ccn(CCc2nn[nH]n2)c1.
What is the InChIKey of phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone?
The InChIKey is DXXTVKSZGKZTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-14(11-4-2-1-3-5-11)12-6-8-19(10-12)9-7-13-15-17-18-16-13/h1-6,8,10H,7,9H2,(H,15,16,17,18).
What are the key properties of phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone?
phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone has a molecular weight of 267.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[2-(2H-tetrazol-5-yl)ethyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 46229286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).