1-(3-methoxycyclopentyl)pyrazol-4-amine

C9H15N3O — CID 118365537

IUPAC1-(3-methoxycyclopentyl)pyrazol-4-amine
SMILESCOC1CCC(n2cc(N)cn2)C1
InChIInChI=1S/C9H15N3O/c1-13-9-3-2-8(4-9)12-6-7(10)5-11-12/h5-6,8-9H,2-4,10H2,1H3
InChIKeyOPLNJUITFWRPOO-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.21
Rot. Bonds2

About 1-(3-methoxycyclopentyl)pyrazol-4-amine

1-(3-methoxycyclopentyl)pyrazol-4-amine (PubChem CID 118365537) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(3-methoxycyclopentyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-methoxycyclopentyl)pyrazol-4-amine
PubChem CID118365537
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(3-methoxycyclopentyl)pyrazol-4-amine
SMILESCOC1CCC(n2cc(N)cn2)C1
InChIInChI=1S/C9H15N3O/c1-13-9-3-2-8(4-9)12-6-7(10)5-11-12/h5-6,8-9H,2-4,10H2,1H3
InChIKeyOPLNJUITFWRPOO-UHFFFAOYSA-N
XLogP1.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclopentyl)pyrazol-4-amine?
The IUPAC name of 1-(3-methoxycyclopentyl)pyrazol-4-amine (CID 118365537) is 1-(3-methoxycyclopentyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-methoxycyclopentyl)pyrazol-4-amine?
The canonical SMILES for 1-(3-methoxycyclopentyl)pyrazol-4-amine is COC1CCC(n2cc(N)cn2)C1.
What is the InChIKey of 1-(3-methoxycyclopentyl)pyrazol-4-amine?
The InChIKey is OPLNJUITFWRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-9-3-2-8(4-9)12-6-7(10)5-11-12/h5-6,8-9H,2-4,10H2,1H3.
What are the key properties of 1-(3-methoxycyclopentyl)pyrazol-4-amine?
1-(3-methoxycyclopentyl)pyrazol-4-amine has a molecular weight of 181.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclopentyl)pyrazol-4-amine is sourced from PubChem (CID 118365537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).