ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate

C14H21N3O3 — CID 134461718

IUPACethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(CC2CC2)nc1N1CCOCC1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(18)12-10-17(9-11-3-4-11)15-13(12)16-5-7-19-8-6-16/h10-11H,2-9H2,1H3
InChIKeyCKGXBRYULIXDSP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.31
Rot. Bonds5

About ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate

ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate (PubChem CID 134461718) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate
PubChem CID134461718
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(CC2CC2)nc1N1CCOCC1
InChIInChI=1S/C14H21N3O3/c1-2-20-14(18)12-10-17(9-11-3-4-11)15-13(12)16-5-7-19-8-6-16/h10-11H,2-9H2,1H3
InChIKeyCKGXBRYULIXDSP-UHFFFAOYSA-N
XLogP1.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate (CID 134461718) is ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate is CCOC(=O)c1cn(CC2CC2)nc1N1CCOCC1.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate?
The InChIKey is CKGXBRYULIXDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-14(18)12-10-17(9-11-3-4-11)15-13(12)16-5-7-19-8-6-16/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate?
ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-3-morpholin-4-ylpyrazole-4-carboxylate is sourced from PubChem (CID 134461718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).