6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine

C15H14ClN5 — CID 133411679

IUPAC6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine
SMILESCn1cc(-c2cccc(CNc3cncc(Cl)n3)c2)cn1
InChIInChI=1S/C15H14ClN5/c1-21-10-13(7-19-21)12-4-2-3-11(5-12)6-18-15-9-17-8-14(16)20-15/h2-5,7-10H,6H2,1H3,(H,18,20)
InChIKeySVOIUZLUAXDASN-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.14
Rot. Bonds4

About 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine

6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine (PubChem CID 133411679) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine
PubChem CID133411679
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine
SMILESCn1cc(-c2cccc(CNc3cncc(Cl)n3)c2)cn1
InChIInChI=1S/C15H14ClN5/c1-21-10-13(7-19-21)12-4-2-3-11(5-12)6-18-15-9-17-8-14(16)20-15/h2-5,7-10H,6H2,1H3,(H,18,20)
InChIKeySVOIUZLUAXDASN-UHFFFAOYSA-N
XLogP3.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine (CID 133411679) is 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine is Cn1cc(-c2cccc(CNc3cncc(Cl)n3)c2)cn1.
What is the InChIKey of 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine?
The InChIKey is SVOIUZLUAXDASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-21-10-13(7-19-21)12-4-2-3-11(5-12)6-18-15-9-17-8-14(16)20-15/h2-5,7-10H,6H2,1H3,(H,18,20).
What are the key properties of 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine?
6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine has a molecular weight of 299.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 133411679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).