N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine

C12H19N3O — CID 107137702

IUPACN-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cn(C2CCCOC2)nc1CNC1CC1
InChIInChI=1S/C12H19N3O/c1-2-12(9-16-7-1)15-6-5-11(14-15)8-13-10-3-4-10/h5-6,10,12-13H,1-4,7-9H2
InChIKeyIVWKXUYRNYAXEZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.49
Rot. Bonds4

About N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 107137702) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID107137702
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESc1cn(C2CCCOC2)nc1CNC1CC1
InChIInChI=1S/C12H19N3O/c1-2-12(9-16-7-1)15-6-5-11(14-15)8-13-10-3-4-10/h5-6,10,12-13H,1-4,7-9H2
InChIKeyIVWKXUYRNYAXEZ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine (CID 107137702) is N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine is c1cn(C2CCCOC2)nc1CNC1CC1.
What is the InChIKey of N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is IVWKXUYRNYAXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-12(9-16-7-1)15-6-5-11(14-15)8-13-10-3-4-10/h5-6,10,12-13H,1-4,7-9H2.
What are the key properties of N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 221.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107137702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).