ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate

C15H20N4O3 — CID 167988724

IUPACethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H20N4O3/c1-2-21-15(20)13-9-16-17-14(13)22-10-11-7-8-19(18-11)12-5-3-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,17)
InChIKeyQMADCIJRWWVRET-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.48
Rot. Bonds6

About ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate

ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate (PubChem CID 167988724) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate
PubChem CID167988724
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OCc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H20N4O3/c1-2-21-15(20)13-9-16-17-14(13)22-10-11-7-8-19(18-11)12-5-3-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,17)
InChIKeyQMADCIJRWWVRET-UHFFFAOYSA-N
XLogP2.48
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride
CID 167802527
ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate
CID 167802528
ethyl 5-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-1H-pyrazole-4-carboxylate;hydrochloride
CID 167805680
ethyl 5-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-1H-pyrazole-4-carboxylate
CID 167805681
ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride
CID 167988723

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate (CID 167988724) is ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1OCc1ccn(C2CCCC2)n1.
What is the InChIKey of ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate?
The InChIKey is QMADCIJRWWVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-21-15(20)13-9-16-17-14(13)22-10-11-7-8-19(18-11)12-5-3-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,17).
What are the key properties of ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate?
ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 167988724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).