1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol

C7H13N3O — CID 54594905

IUPAC1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CN)cn1
InChIInChI=1S/C7H13N3O/c1-7(11,5-8)6-3-9-10(2)4-6/h3-4,11H,5,8H2,1-2H3
InChIKeyTYVNHUYYFGJCRL-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.41
Rot. Bonds2

About 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol

1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 54594905) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID54594905
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CN)cn1
InChIInChI=1S/C7H13N3O/c1-7(11,5-8)6-3-9-10(2)4-6/h3-4,11H,5,8H2,1-2H3
InChIKeyTYVNHUYYFGJCRL-UHFFFAOYSA-N
XLogP-0.41
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 54594905) is 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(C(C)(O)CN)cn1.
What is the InChIKey of 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is TYVNHUYYFGJCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(11,5-8)6-3-9-10(2)4-6/h3-4,11H,5,8H2,1-2H3.
What are the key properties of 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 155.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 54594905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).