1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine

C13H23N3O — CID 63937696

IUPAC1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(C2CCOCC2)c1C
InChIInChI=1S/C13H23N3O/c1-4-12(14)13-9(2)15-16(10(13)3)11-5-7-17-8-6-11/h11-12H,4-8,14H2,1-3H3
InChIKeyPNUCVVFDGYAMGJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.26
Rot. Bonds3

About 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine

1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 63937696) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
PubChem CID63937696
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
SMILESCCC(N)c1c(C)nn(C2CCOCC2)c1C
InChIInChI=1S/C13H23N3O/c1-4-12(14)13-9(2)15-16(10(13)3)11-5-7-17-8-6-11/h11-12H,4-8,14H2,1-3H3
InChIKeyPNUCVVFDGYAMGJ-UHFFFAOYSA-N
XLogP2.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine (CID 63937696) is 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine is CCC(N)c1c(C)nn(C2CCOCC2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is PNUCVVFDGYAMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12(14)13-9(2)15-16(10(13)3)11-5-7-17-8-6-11/h11-12H,4-8,14H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?
1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 63937696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).