4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid

C12H18N6O2 — CID 107475114

IUPAC4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1-c1ccn[nH]1)C(=O)O
InChIInChI=1S/C12H18N6O2/c1-12(2,3)6-8(11(19)20)7-18-10(15-16-17-18)9-4-5-13-14-9/h4-5,8H,6-7H2,1-3H3,(H,13,14)(H,19,20)
InChIKeyPWVSNDIGBBXZTK-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.20
Rot. Bonds5

About 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid

4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 107475114) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID107475114
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1-c1ccn[nH]1)C(=O)O
InChIInChI=1S/C12H18N6O2/c1-12(2,3)6-8(11(19)20)7-18-10(15-16-17-18)9-4-5-13-14-9/h4-5,8H,6-7H2,1-3H3,(H,13,14)(H,19,20)
InChIKeyPWVSNDIGBBXZTK-UHFFFAOYSA-N
XLogP1.20
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid with MolForge

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Related Compounds

4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475006
4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475215
4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475047
4,4-dimethyl-2-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475123
2-[[5-(furan-3-yl)tetrazol-1-yl]methyl]-4,4-dimethylpentanoic acid
CID 107475162
2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid
CID 107474996
4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475063
4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
CID 107474963
4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475072
3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 82002253
2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104643311
2-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 80641921

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid (CID 107475114) is 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid is CC(C)(C)CC(Cn1nnnc1-c1ccn[nH]1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is PWVSNDIGBBXZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-12(2,3)6-8(11(19)20)7-18-10(15-16-17-18)9-4-5-13-14-9/h4-5,8H,6-7H2,1-3H3,(H,13,14)(H,19,20).
What are the key properties of 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid?
4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 278.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 107475114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).