2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine

C20H23N5 — CID 45224958

IUPAC2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
SMILESCN1CCCC1CCn1ccc(-c2cccc(-c3cnccn3)c2)n1
InChIInChI=1S/C20H23N5/c1-24-11-3-6-18(24)7-12-25-13-8-19(23-25)16-4-2-5-17(14-16)20-15-21-9-10-22-20/h2,4-5,8-10,13-15,18H,3,6-7,11-12H2,1H3
InChIKeyQJUXLNTZRZUOOT-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.49
Rot. Bonds5

About 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine

2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine (PubChem CID 45224958) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine.

Molecular Properties

Compound Name2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
PubChem CID45224958
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
SMILESCN1CCCC1CCn1ccc(-c2cccc(-c3cnccn3)c2)n1
InChIInChI=1S/C20H23N5/c1-24-11-3-6-18(24)7-12-25-13-8-19(23-25)16-4-2-5-17(14-16)20-15-21-9-10-22-20/h2,4-5,8-10,13-15,18H,3,6-7,11-12H2,1H3
InChIKeyQJUXLNTZRZUOOT-UHFFFAOYSA-N
XLogP3.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
CID 45203148
2-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]-1,3-benzothiazole
CID 29254823
3-[1-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,4-triazol-3-yl]aniline
CID 107912171
2,5-dimethyl-3-[3-[1-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine
CID 30936152
2-[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-4-pyrazin-2-ylphenoxy]acetic acid
CID 74237817
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
CID 97327974
4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine
CID 29029041
2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine
CID 45206673
2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
CID 28732154
2-(1-prop-2-ynylpyrazol-3-yl)pyrazine
CID 121211848
3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine
CID 168964871
N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
CID 28784014

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine?
The IUPAC name of 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine (CID 45224958) is 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine.
What is the SMILES notation for 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine?
The canonical SMILES for 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine is CN1CCCC1CCn1ccc(-c2cccc(-c3cnccn3)c2)n1.
What is the InChIKey of 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine?
The InChIKey is QJUXLNTZRZUOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-24-11-3-6-18(24)7-12-25-13-8-19(23-25)16-4-2-5-17(14-16)20-15-21-9-10-22-20/h2,4-5,8-10,13-15,18H,3,6-7,11-12H2,1H3.
What are the key properties of 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine?
2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine has a molecular weight of 333.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine is sourced from PubChem (CID 45224958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).