ethyl 1-methyl-3-propylpyrazole-5-carboxylate

C10H16N2O2 — CID 10176532

IUPACethyl 1-methyl-3-propylpyrazole-5-carboxylate
SMILESCCCc1cc(C(=O)OCC)n(C)n1
InChIInChI=1S/C10H16N2O2/c1-4-6-8-7-9(12(3)11-8)10(13)14-5-2/h7H,4-6H2,1-3H3
InChIKeyZPSRHLWRTVNGSM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds4

About ethyl 1-methyl-3-propylpyrazole-5-carboxylate

ethyl 1-methyl-3-propylpyrazole-5-carboxylate (PubChem CID 10176532) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 1-methyl-3-propylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-propylpyrazole-5-carboxylate
PubChem CID10176532
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 1-methyl-3-propylpyrazole-5-carboxylate
SMILESCCCc1cc(C(=O)OCC)n(C)n1
InChIInChI=1S/C10H16N2O2/c1-4-6-8-7-9(12(3)11-8)10(13)14-5-2/h7H,4-6H2,1-3H3
InChIKeyZPSRHLWRTVNGSM-UHFFFAOYSA-N
XLogP1.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-propylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-3-propylpyrazole-5-carboxylate (CID 10176532) is ethyl 1-methyl-3-propylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-propylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-propylpyrazole-5-carboxylate is CCCc1cc(C(=O)OCC)n(C)n1.
What is the InChIKey of ethyl 1-methyl-3-propylpyrazole-5-carboxylate?
The InChIKey is ZPSRHLWRTVNGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-8-7-9(12(3)11-8)10(13)14-5-2/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 1-methyl-3-propylpyrazole-5-carboxylate?
ethyl 1-methyl-3-propylpyrazole-5-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-propylpyrazole-5-carboxylate is sourced from PubChem (CID 10176532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).