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

C8H12N2O2 — CID 174323373

IUPAC1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate
SMILESCc1[nH]ncc1CC(C)OC=O
InChIInChI=1S/C8H12N2O2/c1-6(12-5-11)3-8-4-9-10-7(8)2/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyCHXMWBOQZIPUBK-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.82
Rot. Bonds4

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

1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate (PubChem CID 174323373) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate
PubChem CID174323373
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate
SMILESCc1[nH]ncc1CC(C)OC=O
InChIInChI=1S/C8H12N2O2/c1-6(12-5-11)3-8-4-9-10-7(8)2/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyCHXMWBOQZIPUBK-UHFFFAOYSA-N
XLogP0.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-1H-pyrazol-4-yl)propan-2-yl formate?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate (CID 174323373) is 1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate is Cc1[nH]ncc1CC(C)OC=O.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate?
The InChIKey is CHXMWBOQZIPUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(12-5-11)3-8-4-9-10-7(8)2/h4-6H,3H2,1-2H3,(H,9,10).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate?
1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate has a molecular weight of 168.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)propan-2-yl formate is sourced from PubChem (CID 174323373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).