ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride

C11H18ClN3O2 — CID 75480553

IUPACethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn(C2CCCC2)c1N.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-2-16-11(15)9-7-13-14(10(9)12)8-5-3-4-6-8;/h7-8H,2-6,12H2,1H3;1H
InChIKeyKSMGKSZICMEOHP-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.18
Rot. Bonds3

About ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride

ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride (PubChem CID 75480553) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride
PubChem CID75480553
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Nameethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn(C2CCCC2)c1N.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-2-16-11(15)9-7-13-14(10(9)12)8-5-3-4-6-8;/h7-8H,2-6,12H2,1H3;1H
InChIKeyKSMGKSZICMEOHP-UHFFFAOYSA-N
XLogP2.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride (CID 75480553) is ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride is CCOC(=O)c1cnn(C2CCCC2)c1N.Cl.
What is the InChIKey of ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride?
The InChIKey is KSMGKSZICMEOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c1-2-16-11(15)9-7-13-14(10(9)12)8-5-3-4-6-8;/h7-8H,2-6,12H2,1H3;1H.
What are the key properties of ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride?
ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-cyclopentylpyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 75480553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).