2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine

C19H29N5 — CID 110101514

IUPAC2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
SMILESCC(C)N1CCCC(Cc2nccnc2-c2ccnn2C(C)C)C1
InChIInChI=1S/C19H29N5/c1-14(2)23-11-5-6-16(13-23)12-17-19(21-10-9-20-17)18-7-8-22-24(18)15(3)4/h7-10,14-16H,5-6,11-13H2,1-4H3
InChIKeyNKQHRESLAIGDDL-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.58
Rot. Bonds5

About 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine

2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine (PubChem CID 110101514) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
PubChem CID110101514
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
SMILESCC(C)N1CCCC(Cc2nccnc2-c2ccnn2C(C)C)C1
InChIInChI=1S/C19H29N5/c1-14(2)23-11-5-6-16(13-23)12-17-19(21-10-9-20-17)18-7-8-22-24(18)15(3)4/h7-10,14-16H,5-6,11-13H2,1-4H3
InChIKeyNKQHRESLAIGDDL-UHFFFAOYSA-N
XLogP3.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101531
2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride
CID 171687287
2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 110101653
2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
CID 110101517
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101564
N,N-dimethyl-4-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101741
2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine
CID 125025306
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine
CID 124964634
2-(2-methylpyrazol-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
CID 110101538
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-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine?
The IUPAC name of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine (CID 110101514) is 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine.
What is the SMILES notation for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine?
The canonical SMILES for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine is CC(C)N1CCCC(Cc2nccnc2-c2ccnn2C(C)C)C1.
What is the InChIKey of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine?
The InChIKey is NKQHRESLAIGDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-14(2)23-11-5-6-16(13-23)12-17-19(21-10-9-20-17)18-7-8-22-24(18)15(3)4/h7-10,14-16H,5-6,11-13H2,1-4H3.
What are the key properties of 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine?
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine has a molecular weight of 327.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine is sourced from PubChem (CID 110101514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).