2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid

C8H10N2O2 — CID 83858867

IUPAC2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c2c1CCC2
InChIInChI=1S/C8H10N2O2/c11-8(12)4-7-5-2-1-3-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
InChIKeySWVRCRPPYAFENC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.53
Rot. Bonds2

About 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid (PubChem CID 83858867) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid
PubChem CID83858867
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid
SMILESO=C(O)Cc1n[nH]c2c1CCC2
InChIInChI=1S/C8H10N2O2/c11-8(12)4-7-5-2-1-3-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
InChIKeySWVRCRPPYAFENC-UHFFFAOYSA-N
XLogP0.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid (CID 83858867) is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid is O=C(O)Cc1n[nH]c2c1CCC2.
What is the InChIKey of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid?
The InChIKey is SWVRCRPPYAFENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8(12)4-7-5-2-1-3-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12).
What are the key properties of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid?
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid has a molecular weight of 166.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)acetic acid is sourced from PubChem (CID 83858867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).