3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid

C25H20N6O2 — CID 10574924

IUPAC3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)O
InChIInChI=1S/C25H20N6O2/c1-16-23(25(32)33)22(31(28-16)19-7-3-2-4-8-19)15-17-11-13-18(14-12-17)20-9-5-6-10-21(20)24-26-29-30-27-24/h2-14H,15H2,1H3,(H,32,33)(H,26,27,29,30)
InChIKeyHNMCTYCUHNZIAQ-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.32
Rot. Bonds6

About 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid

3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid (PubChem CID 10574924) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
PubChem CID10574924
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)O
InChIInChI=1S/C25H20N6O2/c1-16-23(25(32)33)22(31(28-16)19-7-3-2-4-8-19)15-17-11-13-18(14-12-17)20-9-5-6-10-21(20)24-26-29-30-27-24/h2-14H,15H2,1H3,(H,32,33)(H,26,27,29,30)
InChIKeyHNMCTYCUHNZIAQ-UHFFFAOYSA-N
XLogP4.32
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 673680
(3-iso-propyl-1-propyl-5-((2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl)-1H-pyrazole-4-carboxylic acid)
CID 9802759
CID 9911332
CID 9911332
5-Butyl-2-(2-chloro-phenyl)-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2H-pyrazole-3-carboxylic acid
CID 14971698
3-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 14971706
2-Benzyl-5-butyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2H-pyrazole-3-carboxylic acid
CID 14971715
5-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
CID 14971717
3-butyl-1-(2-methylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 14971705
3-butyl-1-(2-phenylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 14971710
3-butyl-1-(2-phenylethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 14971716
1-benzyl-3-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 14971720
1-butyl-3-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 9824008

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid (CID 10574924) is 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid is Cc1nn(-c2ccccc2)c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)O.
What is the InChIKey of 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is HNMCTYCUHNZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-16-23(25(32)33)22(31(28-16)19-7-3-2-4-8-19)15-17-11-13-18(14-12-17)20-9-5-6-10-21(20)24-26-29-30-27-24/h2-14H,15H2,1H3,(H,32,33)(H,26,27,29,30).
What are the key properties of 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid?
3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 436.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 10574924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).