1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol

C13H25N3O2 — CID 114164718

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCCn1nc(C)cc1CNCC(C)(O)CCOC
InChIInChI=1S/C13H25N3O2/c1-5-16-12(8-11(2)15-16)9-14-10-13(3,17)6-7-18-4/h8,14,17H,5-7,9-10H2,1-4H3
InChIKeyIVXKPOBZQKTRTR-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.09
Rot. Bonds8

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol

1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 114164718) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
PubChem CID114164718
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCCn1nc(C)cc1CNCC(C)(O)CCOC
InChIInChI=1S/C13H25N3O2/c1-5-16-12(8-11(2)15-16)9-14-10-13(3,17)6-7-18-4/h8,14,17H,5-7,9-10H2,1-4H3
InChIKeyIVXKPOBZQKTRTR-UHFFFAOYSA-N
XLogP1.09
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol (CID 114164718) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol is CCn1nc(C)cc1CNCC(C)(O)CCOC.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is IVXKPOBZQKTRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-16-12(8-11(2)15-16)9-14-10-13(3,17)6-7-18-4/h8,14,17H,5-7,9-10H2,1-4H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol?
1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 114164718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).