ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate

C12H19N3O3 — CID 165487204

IUPACethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC2CC(N)C(O)C2)c1
InChIInChI=1S/C12H19N3O3/c1-2-18-12(17)9-5-14-15(7-9)6-8-3-10(13)11(16)4-8/h5,7-8,10-11,16H,2-4,6,13H2,1H3
InChIKeyCWZUPZJTQXVYQX-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.16
Rot. Bonds4

About ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate

ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate (PubChem CID 165487204) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate
PubChem CID165487204
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC2CC(N)C(O)C2)c1
InChIInChI=1S/C12H19N3O3/c1-2-18-12(17)9-5-14-15(7-9)6-8-3-10(13)11(16)4-8/h5,7-8,10-11,16H,2-4,6,13H2,1H3
InChIKeyCWZUPZJTQXVYQX-UHFFFAOYSA-N
XLogP0.16
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate (CID 165487204) is ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC2CC(N)C(O)C2)c1.
What is the InChIKey of ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate?
The InChIKey is CWZUPZJTQXVYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-18-12(17)9-5-14-15(7-9)6-8-3-10(13)11(16)4-8/h5,7-8,10-11,16H,2-4,6,13H2,1H3.
What are the key properties of ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate?
ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 165487204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).