methyl 2-propylpyrazole-3-carboxylate

C8H12N2O2 — CID 25252379

IUPACmethyl 2-propylpyrazole-3-carboxylate
SMILESCCCn1nccc1C(=O)OC
InChIInChI=1S/C8H12N2O2/c1-3-6-10-7(4-5-9-10)8(11)12-2/h4-5H,3,6H2,1-2H3
InChIKeyAYIMQUVIXIVDOQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-propylpyrazole-3-carboxylate

methyl 2-propylpyrazole-3-carboxylate (PubChem CID 25252379) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl 2-propylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-propylpyrazole-3-carboxylate
PubChem CID25252379
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl 2-propylpyrazole-3-carboxylate
SMILESCCCn1nccc1C(=O)OC
InChIInChI=1S/C8H12N2O2/c1-3-6-10-7(4-5-9-10)8(11)12-2/h4-5H,3,6H2,1-2H3
InChIKeyAYIMQUVIXIVDOQ-UHFFFAOYSA-N
XLogP1.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-propylpyrazole-3-carboxylate?
The IUPAC name of methyl 2-propylpyrazole-3-carboxylate (CID 25252379) is methyl 2-propylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-propylpyrazole-3-carboxylate?
The canonical SMILES for methyl 2-propylpyrazole-3-carboxylate is CCCn1nccc1C(=O)OC.
What is the InChIKey of methyl 2-propylpyrazole-3-carboxylate?
The InChIKey is AYIMQUVIXIVDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-10-7(4-5-9-10)8(11)12-2/h4-5H,3,6H2,1-2H3.
What are the key properties of methyl 2-propylpyrazole-3-carboxylate?
methyl 2-propylpyrazole-3-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propylpyrazole-3-carboxylate is sourced from PubChem (CID 25252379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).