3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine

C15H23N5 — CID 115914364

IUPAC3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H23N5/c1-6-7-17-14-12(16-8-9-18-14)11-10-20(5)19-13(11)15(2,3)4/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeyLVUUQQBYKSKOQE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.00
Rot. Bonds4

About 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine

3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine (PubChem CID 115914364) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine
PubChem CID115914364
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C15H23N5/c1-6-7-17-14-12(16-8-9-18-14)11-10-20(5)19-13(11)15(2,3)4/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeyLVUUQQBYKSKOQE-UHFFFAOYSA-N
XLogP3.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine (CID 115914364) is 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine is CCCNc1nccnc1-c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine?
The InChIKey is LVUUQQBYKSKOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-6-7-17-14-12(16-8-9-18-14)11-10-20(5)19-13(11)15(2,3)4/h8-10H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine?
3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 115914364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).