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

C9H9N3O2 — CID 89350704

IUPAC2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESN#Cc1n[nH]c2c1C(CC(=O)O)CC2
InChIInChI=1S/C9H9N3O2/c10-4-7-9-5(3-8(13)14)1-2-6(9)11-12-7/h5H,1-3H2,(H,11,12)(H,13,14)
InChIKeyAMFPDCDAYUTYFM-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.79
Rot. Bonds2

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

2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 89350704) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID89350704
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESN#Cc1n[nH]c2c1C(CC(=O)O)CC2
InChIInChI=1S/C9H9N3O2/c10-4-7-9-5(3-8(13)14)1-2-6(9)11-12-7/h5H,1-3H2,(H,11,12)(H,13,14)
InChIKeyAMFPDCDAYUTYFM-UHFFFAOYSA-N
XLogP0.79
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
CID 71185034
2-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-5-yl]acetic acid
CID 71185055
Ethyl 2-[3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetate
CID 71185076
ethyl 2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydro-1H-cyclopenta[d]pyrazol-4-yl]acetate
CID 71185234
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
2-[3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
CID 83861629
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-5-carboxylic acid
CID 112485977
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2,2-difluoroacetic acid
CID 165751368
3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 21258055
Methyl 3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-5-carboxylate
CID 134168016
3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid
CID 50987855

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid (CID 89350704) is 2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid is N#Cc1n[nH]c2c1C(CC(=O)O)CC2.
What is the InChIKey of 2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is AMFPDCDAYUTYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-4-7-9-5(3-8(13)14)1-2-6(9)11-12-7/h5H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid?
2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 191.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 89350704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).