3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine

C12H19N5O — CID 114255068

IUPAC3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cc(OC)n(C)n2)nn(C)c1N
InChIInChI=1S/C12H19N5O/c1-5-6-8-11(15-17(3)12(8)13)9-7-10(18-4)16(2)14-9/h7H,5-6,13H2,1-4H3
InChIKeyWMXNLQJZPIRMEY-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.36
Rot. Bonds4

About 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine

3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine (PubChem CID 114255068) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine
PubChem CID114255068
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2cc(OC)n(C)n2)nn(C)c1N
InChIInChI=1S/C12H19N5O/c1-5-6-8-11(15-17(3)12(8)13)9-7-10(18-4)16(2)14-9/h7H,5-6,13H2,1-4H3
InChIKeyWMXNLQJZPIRMEY-UHFFFAOYSA-N
XLogP1.36
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine (CID 114255068) is 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine is CCCc1c(-c2cc(OC)n(C)n2)nn(C)c1N.
What is the InChIKey of 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine?
The InChIKey is WMXNLQJZPIRMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-6-8-11(15-17(3)12(8)13)9-7-10(18-4)16(2)14-9/h7H,5-6,13H2,1-4H3.
What are the key properties of 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine?
3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine has a molecular weight of 249.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-methylpyrazol-3-yl)-1-methyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 114255068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).