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

C20H29N5O — CID 125013630

IUPAC1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1n[nH]c(C)c1-c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C20H29N5O/c1-13-17(14(2)24-23-13)18-16(21-8-9-22-18)11-15-7-6-10-25(12-15)19(26)20(3,4)5/h8-9,15H,6-7,10-12H2,1-5H3,(H,23,24)/t15-/m1/s1
InChIKeyWGPOYMAFNLPASO-OAHLLOKOSA-N
MW355.49 g/mol
LogP3.31
Rot. Bonds3

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

1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 125013630) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID125013630
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1n[nH]c(C)c1-c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C20H29N5O/c1-13-17(14(2)24-23-13)18-16(21-8-9-22-18)11-15-7-6-10-25(12-15)19(26)20(3,4)5/h8-9,15H,6-7,10-12H2,1-5H3,(H,23,24)/t15-/m1/s1
InChIKeyWGPOYMAFNLPASO-OAHLLOKOSA-N
XLogP3.31
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 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) is 1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is Cc1n[nH]c(C)c1-c1nccnc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WGPOYMAFNLPASO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N5O/c1-13-17(14(2)24-23-13)18-16(21-8-9-22-18)11-15-7-6-10-25(12-15)19(26)20(3,4)5/h8-9,15H,6-7,10-12H2,1-5H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 355.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 125013630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).