3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid

C9H13N3O2 — CID 58824830

IUPAC3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid
SMILESCCNc1nn(C(=O)O)c2c1CCC2
InChIInChI=1S/C9H13N3O2/c1-2-10-8-6-4-3-5-7(6)12(11-8)9(13)14/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyHCXBRJYZRWQVHX-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.33
Rot. Bonds2

About 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid

3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid (PubChem CID 58824830) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid
PubChem CID58824830
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid
SMILESCCNc1nn(C(=O)O)c2c1CCC2
InChIInChI=1S/C9H13N3O2/c1-2-10-8-6-4-3-5-7(6)12(11-8)9(13)14/h2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyHCXBRJYZRWQVHX-UHFFFAOYSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid?
The IUPAC name of 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid (CID 58824830) is 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid.
What is the SMILES notation for 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid?
The canonical SMILES for 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid is CCNc1nn(C(=O)O)c2c1CCC2.
What is the InChIKey of 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid?
The InChIKey is HCXBRJYZRWQVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-10-8-6-4-3-5-7(6)12(11-8)9(13)14/h2-5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid?
3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5,6-dihydro-4H-cyclopenta[d]pyrazole-1-carboxylic acid is sourced from PubChem (CID 58824830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).