ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride

C14H19ClN4O3 — CID 167802527

IUPACethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cn[nH]c1OCc1ccnn1C1CCC1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-2-20-14(19)12-8-15-17-13(12)21-9-11-6-7-16-18(11)10-4-3-5-10;/h6-8,10H,2-5,9H2,1H3,(H,15,17);1H
InChIKeyONQWROWDGRJNAZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.51
Rot. Bonds6

About ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride

ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride (PubChem CID 167802527) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride
PubChem CID167802527
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Nameethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cn[nH]c1OCc1ccnn1C1CCC1.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-2-20-14(19)12-8-15-17-13(12)21-9-11-6-7-16-18(11)10-4-3-5-10;/h6-8,10H,2-5,9H2,1H3,(H,15,17);1H
InChIKeyONQWROWDGRJNAZ-UHFFFAOYSA-N
XLogP2.51
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride (CID 167802527) is ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride is CCOC(=O)c1cn[nH]c1OCc1ccnn1C1CCC1.Cl.
What is the InChIKey of ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride?
The InChIKey is ONQWROWDGRJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.ClH/c1-2-20-14(19)12-8-15-17-13(12)21-9-11-6-7-16-18(11)10-4-3-5-10;/h6-8,10H,2-5,9H2,1H3,(H,15,17);1H.
What are the key properties of ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride?
ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-cyclobutylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 167802527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).