1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine

C12H21N3O — CID 115923338

IUPAC1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(NC2CCCOC2)n(C)n1
InChIInChI=1S/C12H21N3O/c1-3-5-10-8-12(15(2)14-10)13-11-6-4-7-16-9-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyNBKTZQYLCFUFGC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds4

About 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine

1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine (PubChem CID 115923338) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine
PubChem CID115923338
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(NC2CCCOC2)n(C)n1
InChIInChI=1S/C12H21N3O/c1-3-5-10-8-12(15(2)14-10)13-11-6-4-7-16-9-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyNBKTZQYLCFUFGC-UHFFFAOYSA-N
XLogP1.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine?
The IUPAC name of 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine (CID 115923338) is 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine?
The canonical SMILES for 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine is CCCc1cc(NC2CCCOC2)n(C)n1.
What is the InChIKey of 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine?
The InChIKey is NBKTZQYLCFUFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-10-8-12(15(2)14-10)13-11-6-4-7-16-9-11/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine?
1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-3-yl)-3-propylpyrazol-5-amine is sourced from PubChem (CID 115923338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).