2,2-bis(1H-pyrazol-5-yl)acetic acid

C8H8N4O2 — CID 66879792

IUPAC2,2-bis(1H-pyrazol-5-yl)acetic acid
SMILESO=C(O)C(c1ccn[nH]1)c1ccn[nH]1
InChIInChI=1S/C8H8N4O2/c13-8(14)7(5-1-3-9-11-5)6-2-4-10-12-6/h1-4,7H,(H,9,11)(H,10,12)(H,13,14)
InChIKeyHOGKYJGTZSXWFI-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.35
Rot. Bonds3

About 2,2-bis(1H-pyrazol-5-yl)acetic acid

2,2-bis(1H-pyrazol-5-yl)acetic acid (PubChem CID 66879792) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2,2-bis(1H-pyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2,2-bis(1H-pyrazol-5-yl)acetic acid
PubChem CID66879792
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2,2-bis(1H-pyrazol-5-yl)acetic acid
SMILESO=C(O)C(c1ccn[nH]1)c1ccn[nH]1
InChIInChI=1S/C8H8N4O2/c13-8(14)7(5-1-3-9-11-5)6-2-4-10-12-6/h1-4,7H,(H,9,11)(H,10,12)(H,13,14)
InChIKeyHOGKYJGTZSXWFI-UHFFFAOYSA-N
XLogP0.35
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1H-pyrazol-5-yl)acetic acid?
The IUPAC name of 2,2-bis(1H-pyrazol-5-yl)acetic acid (CID 66879792) is 2,2-bis(1H-pyrazol-5-yl)acetic acid.
What is the SMILES notation for 2,2-bis(1H-pyrazol-5-yl)acetic acid?
The canonical SMILES for 2,2-bis(1H-pyrazol-5-yl)acetic acid is O=C(O)C(c1ccn[nH]1)c1ccn[nH]1.
What is the InChIKey of 2,2-bis(1H-pyrazol-5-yl)acetic acid?
The InChIKey is HOGKYJGTZSXWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-8(14)7(5-1-3-9-11-5)6-2-4-10-12-6/h1-4,7H,(H,9,11)(H,10,12)(H,13,14).
What are the key properties of 2,2-bis(1H-pyrazol-5-yl)acetic acid?
2,2-bis(1H-pyrazol-5-yl)acetic acid has a molecular weight of 192.18 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1H-pyrazol-5-yl)acetic acid is sourced from PubChem (CID 66879792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).