1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate

C7H11N3O2 — CID 174547662

IUPAC1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate
SMILESCC(Cc1cn[nH]c1N)OC=O
InChIInChI=1S/C7H11N3O2/c1-5(12-4-11)2-6-3-9-10-7(6)8/h3-5H,2H2,1H3,(H3,8,9,10)
InChIKeyQPWFDPYEMLGCNG-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.10
Rot. Bonds4

About 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate

1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate (PubChem CID 174547662) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate
PubChem CID174547662
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate
SMILESCC(Cc1cn[nH]c1N)OC=O
InChIInChI=1S/C7H11N3O2/c1-5(12-4-11)2-6-3-9-10-7(6)8/h3-5H,2H2,1H3,(H3,8,9,10)
InChIKeyQPWFDPYEMLGCNG-UHFFFAOYSA-N
XLogP0.10
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate (CID 174547662) is 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate is CC(Cc1cn[nH]c1N)OC=O.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate?
The InChIKey is QPWFDPYEMLGCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(12-4-11)2-6-3-9-10-7(6)8/h3-5H,2H2,1H3,(H3,8,9,10).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate?
1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate has a molecular weight of 169.18 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)propan-2-yl formate is sourced from PubChem (CID 174547662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).