[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone

C20H20N4O2 — CID 95329682

IUPAC[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2ccnc(Oc3ccccc3)c2)cn1
InChIInChI=1S/C20H20N4O2/c1-23-14-16(13-22-23)18-8-5-11-24(18)20(25)15-9-10-21-19(12-15)26-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3/t18-/m1/s1
InChIKeyWERWRAJDJBCLSX-GOSISDBHSA-N
MW348.41 g/mol
LogP3.58
Rot. Bonds4

About [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone

[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone (PubChem CID 95329682) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
PubChem CID95329682
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2ccnc(Oc3ccccc3)c2)cn1
InChIInChI=1S/C20H20N4O2/c1-23-14-16(13-22-23)18-8-5-11-24(18)20(25)15-9-10-21-19(12-15)26-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3/t18-/m1/s1
InChIKeyWERWRAJDJBCLSX-GOSISDBHSA-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

(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 95569382
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95348934
(3,5-dimethyl-2-pyridinyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136521822
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone?
The IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone (CID 95329682) is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone?
The canonical SMILES for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone is Cn1cc([C@H]2CCCN2C(=O)c2ccnc(Oc3ccccc3)c2)cn1.
What is the InChIKey of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone?
The InChIKey is WERWRAJDJBCLSX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-14-16(13-22-23)18-8-5-11-24(18)20(25)15-9-10-21-19(12-15)26-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone?
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)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 [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone is sourced from PubChem (CID 95329682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).