3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid

C10H12N6O2 — CID 82002253

IUPAC3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1-c1ccn[nH]1
InChIInChI=1S/C10H12N6O2/c17-9(18)5-8(6-1-2-6)16-10(13-14-15-16)7-3-4-11-12-7/h3-4,6,8H,1-2,5H2,(H,11,12)(H,17,18)
InChIKeyMOAPEZFDLQHKGL-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.49
Rot. Bonds5

About 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid

3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid (PubChem CID 82002253) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
PubChem CID82002253
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1-c1ccn[nH]1
InChIInChI=1S/C10H12N6O2/c17-9(18)5-8(6-1-2-6)16-10(13-14-15-16)7-3-4-11-12-7/h3-4,6,8H,1-2,5H2,(H,11,12)(H,17,18)
InChIKeyMOAPEZFDLQHKGL-UHFFFAOYSA-N
XLogP0.49
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid (CID 82002253) is 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid is O=C(O)CC(C1CC1)n1nnnc1-c1ccn[nH]1.
What is the InChIKey of 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is MOAPEZFDLQHKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c17-9(18)5-8(6-1-2-6)16-10(13-14-15-16)7-3-4-11-12-7/h3-4,6,8H,1-2,5H2,(H,11,12)(H,17,18).
What are the key properties of 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 248.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 82002253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).