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

C10H16N2O2 — CID 11805647

IUPACethyl 1-methyl-5-propylpyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)nn1C
InChIInChI=1S/C10H16N2O2/c1-4-6-8-7-9(11-12(8)3)10(13)14-5-2/h7H,4-6H2,1-3H3
InChIKeyRUCHDNJKZWSJHB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds4

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

ethyl 1-methyl-5-propylpyrazole-3-carboxylate (PubChem CID 11805647) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 1-methyl-5-propylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-propylpyrazole-3-carboxylate
PubChem CID11805647
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 1-methyl-5-propylpyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)nn1C
InChIInChI=1S/C10H16N2O2/c1-4-6-8-7-9(11-12(8)3)10(13)14-5-2/h7H,4-6H2,1-3H3
InChIKeyRUCHDNJKZWSJHB-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-5-propylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-propylpyrazole-3-carboxylate (CID 11805647) is ethyl 1-methyl-5-propylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-propylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-propylpyrazole-3-carboxylate is CCCc1cc(C(=O)OCC)nn1C.
What is the InChIKey of ethyl 1-methyl-5-propylpyrazole-3-carboxylate?
The InChIKey is RUCHDNJKZWSJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-8-7-9(11-12(8)3)10(13)14-5-2/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-propylpyrazole-3-carboxylate?
ethyl 1-methyl-5-propylpyrazole-3-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-5-propylpyrazole-3-carboxylate is sourced from PubChem (CID 11805647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).