1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid

C10H15N3O2 — CID 84734311

IUPAC1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid
SMILESNCC1CCC(n2cc(C(=O)O)cn2)C1
InChIInChI=1S/C10H15N3O2/c11-4-7-1-2-9(3-7)13-6-8(5-12-13)10(14)15/h5-7,9H,1-4,11H2,(H,14,15)
InChIKeyQIQBYIXUGARWFK-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.88
Rot. Bonds3

About 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid

1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid (PubChem CID 84734311) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid
PubChem CID84734311
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid
SMILESNCC1CCC(n2cc(C(=O)O)cn2)C1
InChIInChI=1S/C10H15N3O2/c11-4-7-1-2-9(3-7)13-6-8(5-12-13)10(14)15/h5-7,9H,1-4,11H2,(H,14,15)
InChIKeyQIQBYIXUGARWFK-UHFFFAOYSA-N
XLogP0.88
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid (CID 84734311) is 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid is NCC1CCC(n2cc(C(=O)O)cn2)C1.
What is the InChIKey of 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid?
The InChIKey is QIQBYIXUGARWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-4-7-1-2-9(3-7)13-6-8(5-12-13)10(14)15/h5-7,9H,1-4,11H2,(H,14,15).
What are the key properties of 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid?
1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)cyclopentyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 84734311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).