ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate

C10H14N2O3 — CID 171529306

IUPACethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)cc1O
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)9-8(13)6-12(11-9)5-7-3-4-7/h6-7,13H,2-5H2,1H3
InChIKeyLXJRHZUHCNSDRQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.18
Rot. Bonds4

About ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate

ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate (PubChem CID 171529306) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate
PubChem CID171529306
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)cc1O
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)9-8(13)6-12(11-9)5-7-3-4-7/h6-7,13H,2-5H2,1H3
InChIKeyLXJRHZUHCNSDRQ-UHFFFAOYSA-N
XLogP1.18
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate (CID 171529306) is ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate is CCOC(=O)c1nn(CC2CC2)cc1O.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate?
The InChIKey is LXJRHZUHCNSDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-15-10(14)9-8(13)6-12(11-9)5-7-3-4-7/h6-7,13H,2-5H2,1H3.
What are the key properties of ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate?
ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-4-hydroxypyrazole-3-carboxylate is sourced from PubChem (CID 171529306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).