1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid

C9H7ClN4O2 — CID 23354570

IUPAC1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid
SMILESO=C(O)c1nnnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN4O2/c10-7-3-1-6(2-4-7)5-14-8(9(15)16)11-12-13-14/h1-4H,5H2,(H,15,16)
InChIKeyFGUSMKKPGKTCSG-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.07
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid

1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid (PubChem CID 23354570) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid
PubChem CID23354570
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid
SMILESO=C(O)c1nnnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN4O2/c10-7-3-1-6(2-4-7)5-14-8(9(15)16)11-12-13-14/h1-4H,5H2,(H,15,16)
InChIKeyFGUSMKKPGKTCSG-UHFFFAOYSA-N
XLogP1.07
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
1-benzyltetrazole-5-carboxamide
CID 122714819
5-amino-1-[(4-chlorophenyl)methyl]triazole-4-carboxylic acid
CID 46948721
[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone
CID 12012844
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 94942577
ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]tetrazole-5-carboxylate
CID 113365960
4-[(5-benzyltetrazol-1-yl)methyl]benzoic acid
CID 82226211
1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 62055610
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
1-[(4-chlorophenyl)methyl]-5-pentan-3-yltriazole-4-carboxylic acid
CID 94942298
1-[(2-nitrophenyl)methyl]tetrazole-5-carboxylic acid
CID 23354624

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid (CID 23354570) is 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid is O=C(O)c1nnnn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid?
The InChIKey is FGUSMKKPGKTCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-7-3-1-6(2-4-7)5-14-8(9(15)16)11-12-13-14/h1-4H,5H2,(H,15,16).
What are the key properties of 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid?
1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid is sourced from PubChem (CID 23354570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).