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

C15H21N5 — CID 110102409

IUPAC2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
SMILESCC(C)N1CCC(Cc2cnc(-c3cn[nH]c3)cn2)C1
InChIInChI=1S/C15H21N5/c1-11(2)20-4-3-12(10-20)5-14-8-17-15(9-16-14)13-6-18-19-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyVDZKZQCRFIQBFP-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.14
Rot. Bonds4

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

2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine (PubChem CID 110102409) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
PubChem CID110102409
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
SMILESCC(C)N1CCC(Cc2cnc(-c3cn[nH]c3)cn2)C1
InChIInChI=1S/C15H21N5/c1-11(2)20-4-3-12(10-20)5-14-8-17-15(9-16-14)13-6-18-19-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyVDZKZQCRFIQBFP-UHFFFAOYSA-N
XLogP2.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
CID 110102359
2-(1-propan-2-ylpyrazol-4-yl)-5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine
CID 110102408
tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate
CID 124941168
2-(5-methyl-1H-pyrazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
CID 110102383
5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
CID 122607446
2-(2,3-dimethylimidazol-4-yl)-5-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
CID 110130970
2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110101426
2-[5-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 125007571
5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110120453
2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102375
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117153890
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
CID 117156517

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine (CID 110102409) is 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine is CC(C)N1CCC(Cc2cnc(-c3cn[nH]c3)cn2)C1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine?
The InChIKey is VDZKZQCRFIQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(2)20-4-3-12(10-20)5-14-8-17-15(9-16-14)13-6-18-19-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine?
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine has a molecular weight of 271.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).