2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one

C20H29N5O — CID 110101653

IUPAC2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)n1nccc1-c1nccnc1CC1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C20H29N5O/c1-14(2)25-17(6-8-23-25)18-16(21-9-10-22-18)12-15-7-11-24(13-15)19(26)20(3,4)5/h6,8-10,14-15H,7,11-13H2,1-5H3
InChIKeyQOJKQKWAPNZKFM-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.36
Rot. Bonds4

About 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110101653) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID110101653
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)n1nccc1-c1nccnc1CC1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C20H29N5O/c1-14(2)25-17(6-8-23-25)18-16(21-9-10-22-18)12-15-7-11-24(13-15)19(26)20(3,4)5/h6,8-10,14-15H,7,11-13H2,1-5H3
InChIKeyQOJKQKWAPNZKFM-UHFFFAOYSA-N
XLogP3.36
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[(3S)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124943301
1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124943302
1-[3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131850
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101514
2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 110131702
N,N-dimethyl-4-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101741
2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride
CID 171687287
N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101531
2,2-dimethyl-1-[(3R)-3-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124969820
1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 125013630
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124995802

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one (CID 110101653) is 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one is CC(C)n1nccc1-c1nccnc1CC1CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is QOJKQKWAPNZKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14(2)25-17(6-8-23-25)18-16(21-9-10-22-18)12-15-7-11-24(13-15)19(26)20(3,4)5/h6,8-10,14-15H,7,11-13H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 355.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110101653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).