2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde

C10H15N3O — CID 84733091

IUPAC2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde
SMILESNCC1CCC(n2nccc2C=O)C1
InChIInChI=1S/C10H15N3O/c11-6-8-1-2-9(5-8)13-10(7-14)3-4-12-13/h3-4,7-9H,1-2,5-6,11H2
InChIKeyRQPTVNXXIMDKDM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.00
Rot. Bonds3

About 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde

2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde (PubChem CID 84733091) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde
PubChem CID84733091
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde
SMILESNCC1CCC(n2nccc2C=O)C1
InChIInChI=1S/C10H15N3O/c11-6-8-1-2-9(5-8)13-10(7-14)3-4-12-13/h3-4,7-9H,1-2,5-6,11H2
InChIKeyRQPTVNXXIMDKDM-UHFFFAOYSA-N
XLogP1.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde?
The IUPAC name of 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde (CID 84733091) is 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde?
The canonical SMILES for 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde is NCC1CCC(n2nccc2C=O)C1.
What is the InChIKey of 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde?
The InChIKey is RQPTVNXXIMDKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-6-8-1-2-9(5-8)13-10(7-14)3-4-12-13/h3-4,7-9H,1-2,5-6,11H2.
What are the key properties of 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde?
2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)cyclopentyl]pyrazole-3-carbaldehyde is sourced from PubChem (CID 84733091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).