2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine

C20H22FN5O — CID 110270220

IUPAC2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
SMILESCc1nn(C)cc1CN1CCCC1c1cncc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5O/c1-14-15(12-25(2)24-14)13-26-9-3-4-19(26)18-10-22-11-20(23-18)27-17-7-5-16(21)6-8-17/h5-8,10-12,19H,3-4,9,13H2,1-2H3
InChIKeyYDYPOBABOKEVJU-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.79
Rot. Bonds5

About 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine

2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine (PubChem CID 110270220) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine.

Molecular Properties

Compound Name2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
PubChem CID110270220
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
SMILESCc1nn(C)cc1CN1CCCC1c1cncc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C20H22FN5O/c1-14-15(12-25(2)24-14)13-26-9-3-4-19(26)18-10-22-11-20(23-18)27-17-7-5-16(21)6-8-17/h5-8,10-12,19H,3-4,9,13H2,1-2H3
InChIKeyYDYPOBABOKEVJU-UHFFFAOYSA-N
XLogP3.79
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine?
The IUPAC name of 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine (CID 110270220) is 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine.
What is the SMILES notation for 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine?
The canonical SMILES for 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine is Cc1nn(C)cc1CN1CCCC1c1cncc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine?
The InChIKey is YDYPOBABOKEVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-15(12-25(2)24-14)13-26-9-3-4-19(26)18-10-22-11-20(23-18)27-17-7-5-16(21)6-8-17/h5-8,10-12,19H,3-4,9,13H2,1-2H3.
What are the key properties of 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine?
2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine has a molecular weight of 367.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine is sourced from PubChem (CID 110270220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).