2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

C13H17ClN6 — CID 86641657

IUPAC2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCn1cc(CN2CCN(c3nccnc3Cl)CC2)cn1
InChIInChI=1S/C13H17ClN6/c1-18-9-11(8-17-18)10-19-4-6-20(7-5-19)13-12(14)15-2-3-16-13/h2-3,8-9H,4-7,10H2,1H3
InChIKeyBWIMWLVGQUJNLK-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.19
Rot. Bonds3

About 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (PubChem CID 86641657) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
PubChem CID86641657
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
SMILESCn1cc(CN2CCN(c3nccnc3Cl)CC2)cn1
InChIInChI=1S/C13H17ClN6/c1-18-9-11(8-17-18)10-19-4-6-20(7-5-19)13-12(14)15-2-3-16-13/h2-3,8-9H,4-7,10H2,1H3
InChIKeyBWIMWLVGQUJNLK-UHFFFAOYSA-N
XLogP1.19
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 68594989
2-(5-fluoro-2-methylphenyl)-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine;hydrochloride
CID 68596307
5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-2-amine
CID 62127280
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine
CID 62127614
1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 59321981
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
2-[4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-chloropyrazine
CID 59438255
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
7-[(1-methylpyrazol-4-yl)methyl]-2-(3-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
CID 97472683
(4-chlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331488
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59321903

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine (CID 86641657) is 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is Cn1cc(CN2CCN(c3nccnc3Cl)CC2)cn1.
What is the InChIKey of 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is BWIMWLVGQUJNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-18-9-11(8-17-18)10-19-4-6-20(7-5-19)13-12(14)15-2-3-16-13/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine?
2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 292.77 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 86641657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).