1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol

C9H17N3O — CID 64818780

IUPAC1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol
SMILESCc1ccnn1CCC(C)(O)CN
InChIInChI=1S/C9H17N3O/c1-8-3-5-11-12(8)6-4-9(2,13)7-10/h3,5,13H,4,6-7,10H2,1-2H3
InChIKeyFAAUDTRUOOXKAR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.29
Rot. Bonds4

About 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol

1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol (PubChem CID 64818780) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol
PubChem CID64818780
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol
SMILESCc1ccnn1CCC(C)(O)CN
InChIInChI=1S/C9H17N3O/c1-8-3-5-11-12(8)6-4-9(2,13)7-10/h3,5,13H,4,6-7,10H2,1-2H3
InChIKeyFAAUDTRUOOXKAR-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol (CID 64818780) is 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol is Cc1ccnn1CCC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol?
The InChIKey is FAAUDTRUOOXKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8-3-5-11-12(8)6-4-9(2,13)7-10/h3,5,13H,4,6-7,10H2,1-2H3.
What are the key properties of 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol?
1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol is sourced from PubChem (CID 64818780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).