ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate

C13H18N2O3 — CID 125452498

IUPACethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)nc1[C@H]1CCCO1
InChIInChI=1S/C13H18N2O3/c1-2-17-13(16)10-8-15(9-5-6-9)14-12(10)11-4-3-7-18-11/h8-9,11H,2-7H2,1H3/t11-/m1/s1
InChIKeyIOHGYSMQRMUPBZ-LLVKDONJSA-N
MW250.30 g/mol
LogP2.25
Rot. Bonds4

About ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate

ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate (PubChem CID 125452498) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate
PubChem CID125452498
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)nc1[C@H]1CCCO1
InChIInChI=1S/C13H18N2O3/c1-2-17-13(16)10-8-15(9-5-6-9)14-12(10)11-4-3-7-18-11/h8-9,11H,2-7H2,1H3/t11-/m1/s1
InChIKeyIOHGYSMQRMUPBZ-LLVKDONJSA-N
XLogP2.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate (CID 125452498) is ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate is CCOC(=O)c1cn(C2CC2)nc1[C@H]1CCCO1.
What is the InChIKey of ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate?
The InChIKey is IOHGYSMQRMUPBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-17-13(16)10-8-15(9-5-6-9)14-12(10)11-4-3-7-18-11/h8-9,11H,2-7H2,1H3/t11-/m1/s1.
What are the key properties of ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate?
ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-3-[(2R)-oxolan-2-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 125452498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).