(1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate

C26H24N4O3 — CID 16603595

IUPAC(1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H24N4O3/c31-26(21-11-12-24(27-17-21)29-13-15-32-16-14-29)33-19-22-18-30(23-9-5-2-6-10-23)28-25(22)20-7-3-1-4-8-20/h1-12,17-18H,13-16,19H2
InChIKeyTXPZIWBKEKYJTR-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.13
Rot. Bonds6

About (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate

(1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 16603595) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID16603595
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name(1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate
SMILESO=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H24N4O3/c31-26(21-11-12-24(27-17-21)29-13-15-32-16-14-29)33-19-22-18-30(23-9-5-2-6-10-23)28-25(22)20-7-3-1-4-8-20/h1-12,17-18H,13-16,19H2
InChIKeyTXPZIWBKEKYJTR-UHFFFAOYSA-N
XLogP4.13
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate (CID 16603595) is (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate is O=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is TXPZIWBKEKYJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-26(21-11-12-24(27-17-21)29-13-15-32-16-14-29)33-19-22-18-30(23-9-5-2-6-10-23)28-25(22)20-7-3-1-4-8-20/h1-12,17-18H,13-16,19H2.
What are the key properties of (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate?
(1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 16603595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).