(5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone

C20H20N4O2 — CID 97101945

IUPAC(5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCO[C@H](c3ccccc3)C2)cnn1-c1ccncc1
InChIInChI=1S/C20H20N4O2/c1-15-18(13-22-24(15)17-7-9-21-10-8-17)20(25)23-11-12-26-19(14-23)16-5-3-2-4-6-16/h2-10,13,19H,11-12,14H2,1H3/t19-/m0/s1
InChIKeyGOXHRVUCYVQYHA-IBGZPJMESA-N
MW348.41 g/mol
LogP2.79
Rot. Bonds3

About (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone

(5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone (PubChem CID 97101945) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
PubChem CID97101945
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCO[C@H](c3ccccc3)C2)cnn1-c1ccncc1
InChIInChI=1S/C20H20N4O2/c1-15-18(13-22-24(15)17-7-9-21-10-8-17)20(25)23-11-12-26-19(14-23)16-5-3-2-4-6-16/h2-10,13,19H,11-12,14H2,1H3/t19-/m0/s1
InChIKeyGOXHRVUCYVQYHA-IBGZPJMESA-N
XLogP2.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 4882528
ethyl 1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 20855126
US10364238, Example 31
CID 121365063
US11180484, Example 28
CID 139301835
US11180484, Example 27
CID 139301864
ethyl 4-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]carbonyl}amino)benzoate
CID 1287871
benzyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 1288496
Ethyl 1-phenyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 2121566
N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883831
(1,3-Dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561502
N-(2-morpholin-4-ylethyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 162655328
US10364238, Example 32
CID 121365092

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone (CID 97101945) is (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone is Cc1c(C(=O)N2CCO[C@H](c3ccccc3)C2)cnn1-c1ccncc1.
What is the InChIKey of (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is GOXHRVUCYVQYHA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-18(13-22-24(15)17-7-9-21-10-8-17)20(25)23-11-12-26-19(14-23)16-5-3-2-4-6-16/h2-10,13,19H,11-12,14H2,1H3/t19-/m0/s1.
What are the key properties of (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
(5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 97101945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).