2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine

C19H20N4O — CID 29152748

IUPAC2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine
SMILESCOc1nccnc1-c1cccc(-c2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C19H20N4O/c1-24-19-18(20-10-11-21-19)15-6-4-5-14(13-15)17-9-12-23(22-17)16-7-2-3-8-16/h4-6,9-13,16H,2-3,7-8H2,1H3
InChIKeyKYFKLPYZZLLQGI-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.13
Rot. Bonds4

About 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine

2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine (PubChem CID 29152748) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine.

Molecular Properties

Compound Name2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine
PubChem CID29152748
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine
SMILESCOc1nccnc1-c1cccc(-c2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C19H20N4O/c1-24-19-18(20-10-11-21-19)15-6-4-5-14(13-15)17-9-12-23(22-17)16-7-2-3-8-16/h4-6,9-13,16H,2-3,7-8H2,1H3
InChIKeyKYFKLPYZZLLQGI-UHFFFAOYSA-N
XLogP4.13
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine?
The IUPAC name of 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine (CID 29152748) is 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine.
What is the SMILES notation for 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine?
The canonical SMILES for 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine is COc1nccnc1-c1cccc(-c2ccn(C3CCCC3)n2)c1.
What is the InChIKey of 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine?
The InChIKey is KYFKLPYZZLLQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-19-18(20-10-11-21-19)15-6-4-5-14(13-15)17-9-12-23(22-17)16-7-2-3-8-16/h4-6,9-13,16H,2-3,7-8H2,1H3.
What are the key properties of 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine?
2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine has a molecular weight of 320.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopentylpyrazol-3-yl)phenyl]-3-methoxypyrazine is sourced from PubChem (CID 29152748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).