(4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate

C15H18N4O3 — CID 155759017

IUPAC(4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate
SMILESCCN1CCOCC1OC(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C15H18N4O3/c1-2-18-6-7-21-11-14(18)22-15(20)12-8-17-19(10-12)13-4-3-5-16-9-13/h3-5,8-10,14H,2,6-7,11H2,1H3
InChIKeyDICINSCGCPQLHD-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.10
Rot. Bonds4

About (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate

(4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate (PubChem CID 155759017) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate
PubChem CID155759017
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate
SMILESCCN1CCOCC1OC(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C15H18N4O3/c1-2-18-6-7-21-11-14(18)22-15(20)12-8-17-19(10-12)13-4-3-5-16-9-13/h3-5,8-10,14H,2,6-7,11H2,1H3
InChIKeyDICINSCGCPQLHD-UHFFFAOYSA-N
XLogP1.10
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate?
The IUPAC name of (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate (CID 155759017) is (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate is CCN1CCOCC1OC(=O)c1cnn(-c2cccnc2)c1.
What is the InChIKey of (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate?
The InChIKey is DICINSCGCPQLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-18-6-7-21-11-14(18)22-15(20)12-8-17-19(10-12)13-4-3-5-16-9-13/h3-5,8-10,14H,2,6-7,11H2,1H3.
What are the key properties of (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate?
(4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-3-yl) 1-pyridin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 155759017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).