(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone

C20H20N4O2 — CID 110270300

IUPAC(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC1c1cccc(Oc2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-23-18(12-13-21-23)20(25)24-14-6-10-17(24)16-9-5-11-19(22-16)26-15-7-3-2-4-8-15/h2-5,7-9,11-13,17H,6,10,14H2,1H3
InChIKeySGQJWLBVUQNGBZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.58
Rot. Bonds4

About (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone (PubChem CID 110270300) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
PubChem CID110270300
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC1c1cccc(Oc2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-23-18(12-13-21-23)20(25)24-14-6-10-17(24)16-9-5-11-19(22-16)26-15-7-3-2-4-8-15/h2-5,7-9,11-13,17H,6,10,14H2,1H3
InChIKeySGQJWLBVUQNGBZ-UHFFFAOYSA-N
XLogP3.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 110270348
[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110270298
[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95596963
(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586742
[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110118434
1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95846664
1-[2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95329682
1-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95821984
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110270269
2-[(2R)-2-(6-pyridin-3-yloxy-2-pyridinyl)pyrrolidin-1-yl]ethanol
CID 124987516

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone (CID 110270300) is (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone is Cn1nccc1C(=O)N1CCCC1c1cccc(Oc2ccccc2)n1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone?
The InChIKey is SGQJWLBVUQNGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-18(12-13-21-23)20(25)24-14-6-10-17(24)16-9-5-11-19(22-16)26-15-7-3-2-4-8-15/h2-5,7-9,11-13,17H,6,10,14H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110270300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).