2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid

C26H22N6O2 — CID 56986254

IUPAC2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid
SMILESO=C(O)C(c1ccccc1)c1ccc(-c2ccn[nH]2)cc1CCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C26H22N6O2/c33-26(34)24(18-6-2-1-3-7-18)22-12-11-20(23-13-14-27-28-23)16-19(22)10-9-17-5-4-8-21(15-17)25-29-31-32-30-25/h1-8,11-16,24H,9-10H2,(H,27,28)(H,33,34)(H,29,30,31,32)
InChIKeyPOEQMDGXFQZEBM-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.26
Rot. Bonds8

About 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid

2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid (PubChem CID 56986254) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid
PubChem CID56986254
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid
SMILESO=C(O)C(c1ccccc1)c1ccc(-c2ccn[nH]2)cc1CCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C26H22N6O2/c33-26(34)24(18-6-2-1-3-7-18)22-12-11-20(23-13-14-27-28-23)16-19(22)10-9-17-5-4-8-21(15-17)25-29-31-32-30-25/h1-8,11-16,24H,9-10H2,(H,27,28)(H,33,34)(H,29,30,31,32)
InChIKeyPOEQMDGXFQZEBM-UHFFFAOYSA-N
XLogP4.26
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
CID 57222007
[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
CID 57211358
2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
CID 135330870
6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide
CID 123830213
2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
CID 54210664
1-phenyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 10539500
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]isoindole-1,3-dione
CID 137333040
N-(5-phenyl-1H-pyrazol-4-yl)-2-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 167840769
2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166341757
2-methyl-N-[phenyl-[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
CID 139791602
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline
CID 54881777

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid?
The IUPAC name of 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid (CID 56986254) is 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid.
What is the SMILES notation for 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid?
The canonical SMILES for 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid is O=C(O)C(c1ccccc1)c1ccc(-c2ccn[nH]2)cc1CCc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid?
The InChIKey is POEQMDGXFQZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c33-26(34)24(18-6-2-1-3-7-18)22-12-11-20(23-13-14-27-28-23)16-19(22)10-9-17-5-4-8-21(15-17)25-29-31-32-30-25/h1-8,11-16,24H,9-10H2,(H,27,28)(H,33,34)(H,29,30,31,32).
What are the key properties of 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid?
2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid has a molecular weight of 450.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[4-(1H-pyrazol-5-yl)-2-[2-[3-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]acetic acid is sourced from PubChem (CID 56986254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).