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

C7H9N3O2 — CID 82413915

IUPAC5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid
SMILESNC1(C(=O)O)Cc2cn[nH]c2C1
InChIInChI=1S/C7H9N3O2/c8-7(6(11)12)1-4-3-9-10-5(4)2-7/h3H,1-2,8H2,(H,9,10)(H,11,12)
InChIKeyMIDOMWPBTKLMJL-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.71
Rot. Bonds1

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

5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid (PubChem CID 82413915) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid
PubChem CID82413915
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid
SMILESNC1(C(=O)O)Cc2cn[nH]c2C1
InChIInChI=1S/C7H9N3O2/c8-7(6(11)12)1-4-3-9-10-5(4)2-7/h3H,1-2,8H2,(H,9,10)(H,11,12)
InChIKeyMIDOMWPBTKLMJL-UHFFFAOYSA-N
XLogP-0.71
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 ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 82662243
(2S)-2-amino-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 96886668
3-(3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
Methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 102568805
Ethyl 2,4,5,6-Tetrahydrocyclopenta[c]pyrazole-5-carboxylate
CID 167467801
2-amino-3-(5-ethyl-1H-pyrazol-4-yl)propanoic acid
CID 55267481
2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
CID 55267482
2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 62961134
2-methyl-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid
CID 82407833
2-amino-3-(4-methyl-1H-pyrazol-5-yl)propanoic acid
CID 82412883
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid?
The IUPAC name of 5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid (CID 82413915) is 5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid?
The canonical SMILES for 5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid is NC1(C(=O)O)Cc2cn[nH]c2C1.
What is the InChIKey of 5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid?
The InChIKey is MIDOMWPBTKLMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7(6(11)12)1-4-3-9-10-5(4)2-7/h3H,1-2,8H2,(H,9,10)(H,11,12).
What are the key properties of 5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid?
5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of -0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,6-dihydro-1H-cyclopenta[d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 82413915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).