2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid

C9H12N6O2 — CID 103123561

IUPAC2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
SMILESCn1ccc(-c2nnnn2C(C)(C)C(=O)O)n1
InChIInChI=1S/C9H12N6O2/c1-9(2,8(16)17)15-7(10-12-13-15)6-4-5-14(3)11-6/h4-5H,1-3H3,(H,16,17)
InChIKeyIOSJORSDOXQFIE-UHFFFAOYSA-N
MW236.24 g/mol
LogP-0.11
Rot. Bonds3

About 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid

2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid (PubChem CID 103123561) has the molecular formula C9H12N6O2 and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
PubChem CID103123561
Molecular FormulaC9H12N6O2
Molecular Weight236.24 g/mol
Exact Mass236.10
IUPAC Name2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
SMILESCn1ccc(-c2nnnn2C(C)(C)C(=O)O)n1
InChIInChI=1S/C9H12N6O2/c1-9(2,8(16)17)15-7(10-12-13-15)6-4-5-14(3)11-6/h4-5H,1-3H3,(H,16,17)
InChIKeyIOSJORSDOXQFIE-UHFFFAOYSA-N
XLogP-0.11
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
CID 15007312
3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123567
2-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040997
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040798
2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 82818547
2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043608
2-[5-(3-chloro-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 107101228
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040602
2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123559
2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid
CID 66042002
2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66041203
2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
CID 66041204

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid (CID 103123561) is 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid is Cn1ccc(-c2nnnn2C(C)(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is IOSJORSDOXQFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-9(2,8(16)17)15-7(10-12-13-15)6-4-5-14(3)11-6/h4-5H,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 236.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 103123561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).