6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine

C15H14ClN5 — CID 51120771

IUPAC6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine
SMILESClc1cncc(NCc2ccccc2Cn2cccn2)n1
InChIInChI=1S/C15H14ClN5/c16-14-9-17-10-15(20-14)18-8-12-4-1-2-5-13(12)11-21-7-3-6-19-21/h1-7,9-10H,8,11H2,(H,18,20)
InChIKeySOQHVHYUULIUGZ-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.99
Rot. Bonds5

About 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine

6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine (PubChem CID 51120771) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine
PubChem CID51120771
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine
SMILESClc1cncc(NCc2ccccc2Cn2cccn2)n1
InChIInChI=1S/C15H14ClN5/c16-14-9-17-10-15(20-14)18-8-12-4-1-2-5-13(12)11-21-7-3-6-19-21/h1-7,9-10H,8,11H2,(H,18,20)
InChIKeySOQHVHYUULIUGZ-UHFFFAOYSA-N
XLogP2.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine (CID 51120771) is 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine is Clc1cncc(NCc2ccccc2Cn2cccn2)n1.
What is the InChIKey of 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine?
The InChIKey is SOQHVHYUULIUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-14-9-17-10-15(20-14)18-8-12-4-1-2-5-13(12)11-21-7-3-6-19-21/h1-7,9-10H,8,11H2,(H,18,20).
What are the key properties of 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine?
6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine has a molecular weight of 299.77 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 51120771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).