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

C15H21ClN4O3 — CID 167988723

IUPACethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cn[nH]c1OCc1ccn(C2CCCC2)n1.Cl
InChIInChI=1S/C15H20N4O3.ClH/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);1H
InChIKeyNAFVBUCPMMDKHX-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.90
Rot. Bonds6

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

ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride (PubChem CID 167988723) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride
PubChem CID167988723
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Nameethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cn[nH]c1OCc1ccn(C2CCCC2)n1.Cl
InChIInChI=1S/C15H20N4O3.ClH/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);1H
InChIKeyNAFVBUCPMMDKHX-UHFFFAOYSA-N
XLogP2.90
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride (CID 167988723) is ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride is CCOC(=O)c1cn[nH]c1OCc1ccn(C2CCCC2)n1.Cl.
What is the InChIKey of ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride?
The InChIKey is NAFVBUCPMMDKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/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);1H.
What are the key properties of ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride?
ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 2.90, 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;hydrochloride is sourced from PubChem (CID 167988723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).