2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate

C15H22N4O2 — CID 71967866

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCCc2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C15H22N4O2/c1-5-6-12-9-14(17-16-12)15(20)21-8-7-13-10(2)18-19(4)11(13)3/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyHRWWAZGVDUYPPT-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.11
Rot. Bonds6

About 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate

2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate (PubChem CID 71967866) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate
PubChem CID71967866
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate
SMILESCCCc1cc(C(=O)OCCc2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C15H22N4O2/c1-5-6-12-9-14(17-16-12)15(20)21-8-7-13-10(2)18-19(4)11(13)3/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyHRWWAZGVDUYPPT-UHFFFAOYSA-N
XLogP2.11
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate (CID 71967866) is 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate is CCCc1cc(C(=O)OCCc2c(C)nn(C)c2C)n[nH]1.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate?
The InChIKey is HRWWAZGVDUYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-6-12-9-14(17-16-12)15(20)21-8-7-13-10(2)18-19(4)11(13)3/h9H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate?
2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)ethyl 5-propyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 71967866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).