4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid

C7H9N3O2 — CID 83905547

IUPAC4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCc2[nH]ncc21
InChIInChI=1S/C7H9N3O2/c8-7(6(11)12)2-1-5-4(7)3-9-10-5/h3H,1-2,8H2,(H,9,10)(H,11,12)
InChIKeyCAHSRHURHNVYLX-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.41
Rot. Bonds1

About 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid

4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 83905547) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID83905547
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCc2[nH]ncc21
InChIInChI=1S/C7H9N3O2/c8-7(6(11)12)2-1-5-4(7)3-9-10-5/h3H,1-2,8H2,(H,9,10)(H,11,12)
InChIKeyCAHSRHURHNVYLX-UHFFFAOYSA-N
XLogP-0.41
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(5-ethyl-1H-pyrazol-4-yl)butanoic acid
CID 122538027
5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 82413915
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-6-yl)acetic acid
CID 82414310
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
2-(1,4,5,6-Tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
CID 82414344
1H,4H,5H,6H-cyclopenta[c]pyrazole-6-carboxylic acid
CID 82417185
2,4,5,6-Tetrahydrocyclopenta[c]pyrazole-5-carboxylic acid
CID 82417188
2H,4H,5H,6H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 82417189
3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861612
3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861635
(4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)methanol
CID 83905085
5-Methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83905522

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid (CID 83905547) is 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid is NC1(C(=O)O)CCc2[nH]ncc21.
What is the InChIKey of 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is CAHSRHURHNVYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7(6(11)12)2-1-5-4(7)3-9-10-5/h3H,1-2,8H2,(H,9,10)(H,11,12).
What are the key properties of 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of -0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83905547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).