1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine

C12H21N3O — CID 115690888

IUPAC1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine
SMILESCOCCn1ccc(NC2CCC(C)C2)n1
InChIInChI=1S/C12H21N3O/c1-10-3-4-11(9-10)13-12-5-6-15(14-12)7-8-16-2/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyBDQRAXDWACYXQR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds5

About 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine

1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine (PubChem CID 115690888) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine
PubChem CID115690888
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine
SMILESCOCCn1ccc(NC2CCC(C)C2)n1
InChIInChI=1S/C12H21N3O/c1-10-3-4-11(9-10)13-12-5-6-15(14-12)7-8-16-2/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyBDQRAXDWACYXQR-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine (CID 115690888) is 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine is COCCn1ccc(NC2CCC(C)C2)n1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine?
The InChIKey is BDQRAXDWACYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-3-4-11(9-10)13-12-5-6-15(14-12)7-8-16-2/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine?
1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(3-methylcyclopentyl)pyrazol-3-amine is sourced from PubChem (CID 115690888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).