4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid

C9H13N3O2 — CID 22277446

IUPAC4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid
SMILESNc1c(C(=O)O)n[nH]c1C1CCCC1
InChIInChI=1S/C9H13N3O2/c10-6-7(5-3-1-2-4-5)11-12-8(6)9(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)
InChIKeyIVPJKUIZWMJTMN-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.35
Rot. Bonds2

About 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid

4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid (PubChem CID 22277446) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid
PubChem CID22277446
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid
SMILESNc1c(C(=O)O)n[nH]c1C1CCCC1
InChIInChI=1S/C9H13N3O2/c10-6-7(5-3-1-2-4-5)11-12-8(6)9(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14)
InChIKeyIVPJKUIZWMJTMN-UHFFFAOYSA-N
XLogP1.35
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid (CID 22277446) is 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid is Nc1c(C(=O)O)n[nH]c1C1CCCC1.
What is the InChIKey of 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is IVPJKUIZWMJTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-6-7(5-3-1-2-4-5)11-12-8(6)9(13)14/h5H,1-4,10H2,(H,11,12)(H,13,14).
What are the key properties of 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid?
4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopentyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 22277446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).