[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C20H28N4O — CID 95290642

IUPAC[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCC1=NN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc2)CC1
InChIInChI=1S/C20H28N4O/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/h7-10,18-19H,3-6,11-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyJHMOBXGDLWUAPN-RBUKOAKNSA-N
MW340.47 g/mol
LogP2.97
Rot. Bonds3

About [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95290642) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95290642
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCC1=NN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc2)CC1
InChIInChI=1S/C20H28N4O/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/h7-10,18-19H,3-6,11-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyJHMOBXGDLWUAPN-RBUKOAKNSA-N
XLogP2.97
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 99608820
[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95333942
[4-(4-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295766
[4-(4-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295765
[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 97094088
(3-methoxy-4-methylphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291169
cis-(1R,2S)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 97234023
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427381
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427380
(2S,4S)-4-methoxy-1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]pyrrolidine-2-carboxamide
CID 128983730
2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119211050
(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95339680

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95290642) is [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CC1=NN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc2)CC1.
What is the InChIKey of [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is JHMOBXGDLWUAPN-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H28N4O/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/h7-10,18-19H,3-6,11-14H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95290642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).