[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C20H26N4O — CID 95333942

IUPAC[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccn(-c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc2)n1
InChIInChI=1S/C20H26N4O/c1-15-11-14-24(21-15)17-9-7-16(8-10-17)20(25)23-13-4-6-19(23)18-5-3-12-22(18)2/h7-11,14,18-19H,3-6,12-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyFMNYDRNEJFIVJX-RBUKOAKNSA-N
MW338.46 g/mol
LogP2.88
Rot. Bonds3

About [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95333942) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95333942
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccn(-c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc2)n1
InChIInChI=1S/C20H26N4O/c1-15-11-14-24(21-15)17-9-7-16(8-10-17)20(25)23-13-4-6-19(23)18-5-3-12-22(18)2/h7-11,14,18-19H,3-6,12-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyFMNYDRNEJFIVJX-RBUKOAKNSA-N
XLogP2.88
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292652
[4-(4-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295765
[4-(4-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295766
[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290642
1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 71895515
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 95329463
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 167791427
(3-methoxy-4-methylphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291169
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291325
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427381
(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95307308

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95333942) is [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is Cc1ccn(-c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc2)n1.
What is the InChIKey of [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is FMNYDRNEJFIVJX-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-11-14-24(21-15)17-9-7-16(8-10-17)20(25)23-13-4-6-19(23)18-5-3-12-22(18)2/h7-11,14,18-19H,3-6,12-13H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 338.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95333942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).