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

C19H27N5O — CID 124989609

IUPAC1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1n[nH]c(C)c1-c1cnc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)cn1
InChIInChI=1S/C19H27N5O/c1-12-17(13(2)23-22-12)16-10-20-15(9-21-16)8-14-6-7-24(11-14)18(25)19(3,4)5/h9-10,14H,6-8,11H2,1-5H3,(H,22,23)/t14-/m1/s1
InChIKeyOVOONHKIGKOXIJ-CQSZACIVSA-N
MW341.46 g/mol
LogP2.92
Rot. Bonds3

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

1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 124989609) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID124989609
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1n[nH]c(C)c1-c1cnc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)cn1
InChIInChI=1S/C19H27N5O/c1-12-17(13(2)23-22-12)16-10-20-15(9-21-16)8-14-6-7-24(11-14)18(25)19(3,4)5/h9-10,14H,6-8,11H2,1-5H3,(H,22,23)/t14-/m1/s1
InChIKeyOVOONHKIGKOXIJ-CQSZACIVSA-N
XLogP2.92
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 124989609) is 1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is Cc1n[nH]c(C)c1-c1cnc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)cn1.
What is the InChIKey of 1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OVOONHKIGKOXIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O/c1-12-17(13(2)23-22-12)16-10-20-15(9-21-16)8-14-6-7-24(11-14)18(25)19(3,4)5/h9-10,14H,6-8,11H2,1-5H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-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 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 124989609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).