2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine

C18H27N5 — CID 110102408

IUPAC2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine
SMILESCC(C)N1CCC(Cc2cnc(-c3cnn(C(C)C)c3)cn2)C1
InChIInChI=1S/C18H27N5/c1-13(2)22-6-5-15(11-22)7-17-9-20-18(10-19-17)16-8-21-23(12-16)14(3)4/h8-10,12-15H,5-7,11H2,1-4H3
InChIKeySMOHNWAYMZKVAB-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.19
Rot. Bonds5

About 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine

2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine (PubChem CID 110102408) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine
PubChem CID110102408
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine
SMILESCC(C)N1CCC(Cc2cnc(-c3cnn(C(C)C)c3)cn2)C1
InChIInChI=1S/C18H27N5/c1-13(2)22-6-5-15(11-22)7-17-9-20-18(10-19-17)16-8-21-23(12-16)14(3)4/h8-10,12-15H,5-7,11H2,1-4H3
InChIKeySMOHNWAYMZKVAB-UHFFFAOYSA-N
XLogP3.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine with MolForge

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Related Compounds

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CID 46982528
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2-(1-Methylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
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2-(Pyrrolidin-3-ylmethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
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2-(1-propan-2-ylpiperidin-4-yl)-5-(1H-pyrazol-4-yl)pyrazine
CID 118739920
2-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-6-propan-2-ylpyrazine
CID 168209361
2-(1-Tert-butylpyrazol-4-yl)pyrazine
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2-(1-Propan-2-ylpyrazol-4-yl)pyrazine
CID 4244540
2,2-Dimethyl-1-[3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110102393
N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110102400
3-(1-methyl-1H-pyrazol-4-yl)pyrazin
CID 4061022

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine?
The IUPAC name of 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine (CID 110102408) is 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine is CC(C)N1CCC(Cc2cnc(-c3cnn(C(C)C)c3)cn2)C1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine?
The InChIKey is SMOHNWAYMZKVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-13(2)22-6-5-15(11-22)7-17-9-20-18(10-19-17)16-8-21-23(12-16)14(3)4/h8-10,12-15H,5-7,11H2,1-4H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine?
2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine has a molecular weight of 313.45 g/mol, XLogP of 3.19, 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-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine is sourced from PubChem (CID 110102408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).