3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole

C12H19N3O — CID 84724816

IUPAC3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCOc1cc(C2CC2)nn1CC1CCCN1
InChIInChI=1S/C12H19N3O/c1-16-12-7-11(9-4-5-9)14-15(12)8-10-3-2-6-13-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyQRATXYMWBUMBMU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds4

About 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole

3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 84724816) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID84724816
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCOc1cc(C2CC2)nn1CC1CCCN1
InChIInChI=1S/C12H19N3O/c1-16-12-7-11(9-4-5-9)14-15(12)8-10-3-2-6-13-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyQRATXYMWBUMBMU-UHFFFAOYSA-N
XLogP1.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole (CID 84724816) is 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole is COc1cc(C2CC2)nn1CC1CCCN1.
What is the InChIKey of 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is QRATXYMWBUMBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-12-7-11(9-4-5-9)14-15(12)8-10-3-2-6-13-10/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 221.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 84724816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).