1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C19H27N5O — CID 125015816

IUPAC1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCn1cc(-c2cnc(C[C@H]3CCN(C(=O)C(C)(C)C)C3)cn2)cn1
InChIInChI=1S/C19H27N5O/c1-5-24-13-15(9-22-24)17-11-20-16(10-21-17)8-14-6-7-23(12-14)18(25)19(2,3)4/h9-11,13-14H,5-8,12H2,1-4H3/t14-/m1/s1
InChIKeyWWJQLRQWOKZGOR-CQSZACIVSA-N
MW341.46 g/mol
LogP2.80
Rot. Bonds4

About 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 125015816) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID125015816
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCn1cc(-c2cnc(C[C@H]3CCN(C(=O)C(C)(C)C)C3)cn2)cn1
InChIInChI=1S/C19H27N5O/c1-5-24-13-15(9-22-24)17-11-20-16(10-21-17)8-14-6-7-23(12-14)18(25)19(2,3)4/h9-11,13-14H,5-8,12H2,1-4H3/t14-/m1/s1
InChIKeyWWJQLRQWOKZGOR-CQSZACIVSA-N
XLogP2.80
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 125015816) is 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CCn1cc(-c2cnc(C[C@H]3CCN(C(=O)C(C)(C)C)C3)cn2)cn1.
What is the InChIKey of 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WWJQLRQWOKZGOR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-24-13-15(9-22-24)17-11-20-16(10-21-17)8-14-6-7-23(12-14)18(25)19(2,3)4/h9-11,13-14H,5-8,12H2,1-4H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 341.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 125015816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).