3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine

C9H15N3O — CID 118340914

IUPAC3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine
SMILESCOCCn1nc(C2CC2)cc1N
InChIInChI=1S/C9H15N3O/c1-13-5-4-12-9(10)6-8(11-12)7-2-3-7/h6-7H,2-5,10H2,1H3
InChIKeyINCHOVMYCDRIHF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.99
Rot. Bonds4

About 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine

3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine (PubChem CID 118340914) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine
PubChem CID118340914
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine
SMILESCOCCn1nc(C2CC2)cc1N
InChIInChI=1S/C9H15N3O/c1-13-5-4-12-9(10)6-8(11-12)7-2-3-7/h6-7H,2-5,10H2,1H3
InChIKeyINCHOVMYCDRIHF-UHFFFAOYSA-N
XLogP0.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine?
The IUPAC name of 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine (CID 118340914) is 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine?
The canonical SMILES for 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine is COCCn1nc(C2CC2)cc1N.
What is the InChIKey of 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine?
The InChIKey is INCHOVMYCDRIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-5-4-12-9(10)6-8(11-12)7-2-3-7/h6-7H,2-5,10H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine?
3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine has a molecular weight of 181.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine is sourced from PubChem (CID 118340914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).